Information card for entry 1559341

Structure parameters

• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: O=C1O[C@@H](C(=O)O[C@@H]1c1ccccc1)C.O=C1O[C@H](C(=O)O[C@H]1c1ccccc1)C
• Title of publication: Substituted glycolides from natural sources: preparation, alcoholysis and polymerization
• Authors of publication: Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Bagrov, Vladimir V.; Tavtorkin, Alexander N.; Komarov, Pavel D.; Churakov, Andrei V.; Ivchenko, Pavel V.
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 43
• Pages of publication: 6890 - 6902
• a: 9.2468 ± 0.0004 Å
• b: 15.2962 ± 0.0005 Å
• c: 6.6028 ± 0.0002 Å
• α: 90°
• β: 95.037 ± 0.001°
• γ: 90°
• Cell volume: 930.3 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No