Information card for entry 7150766

Structure parameters

• Formula: C23 H24 O4
• Calculated formula: C23 H24 O4
• SMILES: O1[C@@]23C(=C[C@@H]4C[C@H]3C(O[C@@]2(CC=C(C)C)C4=O)(C)C)C(=O)c2ccccc12.O1[C@]23C(=C[C@H]4C[C@@H]3C(O[C@]2(CC=C(C)C)C4=O)(C)C)C(=O)c2ccccc12
• Title of publication: Evaluation of the pharmacophoric motif of the caged Garcinia xanthones
• Authors of publication: Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 4886 - 4894
• a: 10.2829 ± 0.0005 Å
• b: 13.7839 ± 0.0007 Å
• c: 13.8591 ± 0.0008 Å
• α: 90°
• β: 109.118 ± 0.002°
• γ: 90°
• Cell volume: 1856.02 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No