Information card for entry 1519232

Structure parameters

• Formula: C25 H30 O7
• Calculated formula: C25 H30 O7
• SMILES: O(c1c(OC)cc2c([C@H]3OC[C@@H]4[C@H](OC[C@]34OC2(C)C)c2ccc(OC)c(OC)c2)c1)C
• Title of publication: C25H30O7
• Authors of publication: Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 741
• a: 9.2535 ± 0.0003 Å
• b: 13.1779 ± 0.0004 Å
• c: 9.6444 ± 0.0002 Å
• α: 90°
• β: 113.149 ± 0.001°
• γ: 90°
• Cell volume: 1081.37 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No