Information card for entry 1519287

Structure parameters

• Formula: C24 H29 O8
• Calculated formula: C24 H29 O8
• SMILES: O(c1c(OC)ccc([C@@]2(O)c3cc(OC)c(OC)cc3[C@H]3OC[C@@H]2[C@]3(OC)COC)c1)C
• Title of publication: C24H29O8
• Authors of publication: Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 732
• a: 7.783 ± 0.0007 Å
• b: 7.4943 ± 0.0008 Å
• c: 18.919 ± 0.002 Å
• α: 90°
• β: 90.027 ± 0.004°
• γ: 90°
• Cell volume: 1103.51 ± 0.19 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: 0.0844
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No