Information card for entry 2013698

Structure parameters

• Formula: C22 H26 O5
• Calculated formula: C22 H26 O5
• SMILES: O1[C@H]([C@@H](O)[C@@H](OCc2ccccc2)[C@H]1CO)[C@@H](OCc1ccccc1)C=C
• Title of publication: A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor
• Authors of publication: Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o721 - o723
• a: 5.5273 ± 0.0005 Å
• b: 13.4315 ± 0.0013 Å
• c: 26.074 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes