Information card for entry 1548888

Structure parameters

• Formula: C22 H24 O6 S2
• Calculated formula: C22 H24 O6 S2
• SMILES: S(C[C@H]1OC(=O)[C@@H](OC1=O)CSCc1ccc(OC)cc1)Cc1ccc(OC)cc1
• Title of publication: Thiol-substituted copolylactide: synthesis, characterization and post-polymerization modification using thiol‒ene chemistry
• Authors of publication: Kalelkar, Pranav P.; Collard, David M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1022
• a: 5.5834 ± 0.0009 Å
• b: 7.362 ± 0.0011 Å
• c: 12.537 ± 0.002 Å
• α: 91.1515 ± 0.0018°
• β: 93.4047 ± 0.0017°
• γ: 100.667 ± 0.0017°
• Cell volume: 505.28 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No