Information card for entry 1519225

Structure parameters

• Formula: C25 H30 O7
• Calculated formula: C25 H30 O7
• SMILES: O(C)c1c(OC)ccc(c1)[C@H]1OC[C@]23OC(C)(C)c4c([C@@H]3OC[C@@H]12)cc(OC)c(OC)c4
• Title of publication: C25H30O7
• Authors of publication: Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 1045
• a: 11.345 ± 0.002 Å
• b: 8.087 ± 0.002 Å
• c: 12.444 ± 0.002 Å
• α: 90°
• β: 95.23 ± 0.02°
• γ: 90°
• Cell volume: 1136.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No