1. Title of data set Supporting data for "Entropically-driven macrolide polymerizations for the synthesis of aliphatic polyester copolymers using titanium isopropoxide " 2. Author Information Principal Investigator Contact Information Name: Marc A. Hillmyer Address: 207 Pleasant Street SE, Minneapolis, Minnesota 55455 Email: hillmyer@umn.edu Associate or Co-investigator Contact Information Name: Adrian G. Amador Address: 207 Pleasant Street SE, Minneapolis, Minnesota 55455 Email: aamador@umn.edu Associate or Co-investigator Contact Information Name: Annabelle Watts Address: 207 Pleasant Street SE, Minneapolis, Minnesota 55455 Email: awatts@umn.edu Associate or Co-investigator Contact Information Name: Angelika Neitzel Address: Institute for Molecular Engineering, The University of Chicago, Chicago, IL 60637 Email: angelikan@uchicago.edu 3. Date of data collection (single data, range, approximate date): 2017-2018 4. Geographic location of data collection: Synthesis and characterization (X-ray crystallography, DSC, ESI, GCMS, HPLC, MALDI, NMR, rheology, SEC, and TGA) of samples were conducted at the University of Minnesota in Minneapolis, MN. 5. Information about funding sources that supported the collection of the data: Funding for this project was provided by the Center for Sustainable Polymers at the University of Minnesota, a National Science Foundation (NSF)-supported Center for Chemical Innovation (Grant CHE-1413862). The Bruker-AXS D8 Venture diffractometer used for X-ray crystallography was purchased through a grant from NSF/MRI (#1229400) and the University of Minnesota. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: None 2. Links to publications that cite or use the data: 3. Links to other publicly accessible locations of the data: 4. Links/relationships to ancillary data sets: None 5. Was data derived from another source? No 6. Recommended citation for the data: --------------------- DATA & FILE OVERVIEW --------------------- Purpose Statement: This document describes the sample name convention used and the structure of file format. The document is organized by the type of data collected. General Notes: There are eleven folders: ten contain the raw data for the different techniques used (X-ray crystallography, DSC, ESI, GCMS, HPLC, MALDI, NMR, rheology, SEC, and TGA) and an additional folder contains the kinetics and thermodynamics results. The table below provides a list of abbreviations and labels used to indicate the different samples in the data files attached. The first column shows how the samples are labeled in the files/folders contained here, the second column shows how the samples are labeled in the manuscript unabbreviated. Additional characteristics of each sample are available in the published manuscript (link). Precursor: Folders labeled "precursor" correspond to data for the materials listed below used in the synthesis of monomers. S1 3-(benzyloxy)propionic acid S2 benzyl (S)-2-((3-(benzyloxy)propanoyl)oxy)propanoate S3 (S)-2-((3-hydroxypropanoyl)oxy)propanoic acid L1 tert-butyl 3-hydroxypropanoate (1) L2 (S)-3-butoxy-3-oxopropyl 2-((methylsulfonyl)oxy)propanoate L3 (S)-3-((2-((methylsulfonyl)oxy)propanoyl)oxy)propanoic acid (3) G1 Sodium 2-(3-hydroxy-2-methylpropoxy)acetate (4) Monomer: The following sample IDs correspond to the respective monomers and they may contain a prefixs "meso-", "rac-", and "(R,R)-" to indicate the different diastereomers of the monomers. dLA-3HP 3,10-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,5,9,12-tetraone nLA-3HP Mixture of trimers, tetramers, and pentamers of LA-3HP dGA-2MD 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione Polymer: The following sample IDs correspond to the respective polymers and they may contain prefixes "i" and "a" to indicate the polymer tacticity (isotactic and atactic, respectively). p(GA-alt-2MD) poly[(glycolic acid)-alt-(2-methyl-1,3-propanediol)] p(LA-co-3HP) poly[(lactic acid)-co-(3-hydroxypropionic acid)] PPDL poly(pentadecalactone) Conditions: The following abbreviations are used to indicate the conditions stepgrowth synthesized via step-growth polymerization using N,N-diisopropylcarbodiimide TTIP synthesized using titanium tetraisopropoxide as a catalyst SnOct synthesized using tin(II) octanoate as a catalyst bulk synthesized in the bulk toluene synthesized in solution with toluene To indicate different polymer samples, the subfolders or file names are denoted as {polymer}_{conditions}_{molar mass} (example: p(LA-co-3HP)_TTIP_bulk_11k) Files Contained: Additional information about the preparation of each series of data can be found in the experimental section and supporting information associated with the manuscript. Crystallography data: The crystal structures obtained for samples have an associated .cif file that contains the crystallographic information. Reports for the cif file generated are also within this folder. DSC data: differential scanning calorimetry (DSC) data for each sample has its own separate data file, labeled with the sample name. All data is saved as .txt file. DSC data were collected using a TA Q1000. The data reported was collected on the second heating cycle. ESI data: high resolution, electrospray ionisation (ESI) mass spectrometry data for monomers are reported as .csv files. Mass spectrometry was performed with a Bruker BioTOF II ESI/TOF-MS. GCMS data: Gas chromatography–mass spectrometry (GCMS) data was collected using an Agilent 6890 GC equipped with a HP-5ms column (30 m x 0.25 mm) and Agilent 5973 MS detector. The first three columns of the .csv data file are retention time (milliseconds), retention time (min), and abundance. The rest of the columns are labeled with the m/z, providing the MS data for each retention time. HPLC data: High performance liquid chromatography (HPLC) data were collected using an Agilent 1260 infinity system with Regis Technologies Inc (S,S) Whelk-O®-1-(S,S) 5 µm 100 Ĺ, LC Column (250 x 4.6 mm) and HPLC grade isopropanol and hexane. The .csv data and the report are provided. Kinetics and thermodynamics: The data for the kinetics and thermodynamics of the polymerization are reported in .csv files. The "Kinetics SEC.csv" data have multiple SEC results reported in one spreadsheet: two columns of data (Time v dRI [dRI = differential refractive index]) correspond to the SEC results for the indicated reaction time in row 2. MALDI data: Matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) was performed on an AB-Sciex 5800 MALDI-TOF mass spectrometer. The data file is in .csv format. NMR data: nuclear magnetic resonance (NMR) spectroscopy data for each sample has its own separate data folder, labeled with the sample name. In each folder is the data as downloaded from the instrument. The .fid file can be opened in any NMR analysis software (e.g. MNOVA or iNMR). [1H] subfolders correspond to 1H NMR data and [13C] subfolders correspond to 13C NMR data. NMR spectra were recorded on a Bruker HD-500 spectrometer. Rheology data: the time-temperature superposition (TTS) shifted data for the sample and the shift the data for TTS are provided as .csv files. For the primary Rheology data files, G' is the storage modulus, G" is the loss modulus, G* is the complex modulus, eta* is the complex viscosity, and T is the temperature in degrees Celsius. Using 8 mm parallel plates, TA Instruments Rheometric Series ARES rheometer was used with temperature controlled under N2 by a forced convection oven. SEC data: size exclusion chromatography (SEC) data for each sample has its own separate data file. Each sample's data is output in two columns where the first column shows the elution time in minutes and the second column shows the differential refractive index signal (dRI), with arbitrary units. All data is saved as a .csv file. SEC data were collected using two Agilent PLgel MIXED-B 300 × 7.5 mm columns with 10 µm beads, connected to an Agilent 1260 Series pump, a Wyatt 18-angle DAWN HELEOS light scattering detector, and Optilab rEX differential refractive index detector. The mobile phase was tetrahydrofuran. TGA data: Thermogravimetric analysis (TGA) was conducted in air atmosphere using a TA instruments TGA Q500 heating at 10 °C min-1. Files were saved as .csv files. Are there multiple versions of the dataset? N Description of methods used for collection, generation, and processing of data: Additional supporting information, including documentation on the synthesis of model materials, is located with the published manuscript. People involved with sample collection, processing, analysis and/or submission: Adrian G. Amador and Annabelle Watts collected all DSC, ESI, GCMS, HPLC, MALDI, NMR, rheology, SEC, and TGA data. Victor G. Young, Jr collected X-ray crystallography data.