Information card for entry 7151899

Structure parameters

• Formula: C20 H28 O7
• Calculated formula: C20 H28 O7
• SMILES: O[C@H]1CCC([C@H]2[C@@H]3OC(=O)[C@@]45[C@@]3(OC[C@@]12[C@@H]4CC[C@H]([C@H]5O)C(=O)C)O)(C)C
• Title of publication: Synthesis and revision of stereochemistry of rubescensin S
• Authors of publication: Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 4436
• a: 6.526 ± 0.006 Å
• b: 11.83 ± 0.01 Å
• c: 12.312 ± 0.011 Å
• α: 90°
• β: 104.267 ± 0.013°
• γ: 90°
• Cell volume: 921.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1322
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No