Information card for entry 7213094

Structure parameters

• Formula: C22 H40 O4
• Calculated formula: C22 H40 O4
• SMILES: O1C(=O)CCCCCCCCCCOC(=O)CCCCCCCCCC1
• Title of publication: Cyclo‐depolymerisation of polyundecanoate and related polyesters: characterisation of cyclic oligoundecanoates and related cyclic oligoesters
• Authors of publication: Ruddick, Clare L.; Hodge, Philip; Zhuo, Yang; Beddoes, Roy L.; Helliwell, Madeleine
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2399
• a: 27.653 ± 0.007 Å
• b: 8.13 ± 0.002 Å
• c: 9.857 ± 0.004 Å
• α: 90°
• β: 95.74 ± 0.04°
• γ: 90°
• Cell volume: 2204.9 ± 1.2 ų
• Cell temperature: 290.2 K
• Ambient diffraction temperature: 290.2 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 significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0354
• Goodness-of-fit parameter for significantly intense reflections: 1.775
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No