Information card for entry 7150768

Structure parameters

• Formula: C20 H26 O5
• Calculated formula: C20 H26 O5
• SMILES: O=C1OC(O[C@@]23C1=C[C@H]1[C@](OC([C@H]1C3)(C)C)(C2=O)CC=C(C)C)(C)C.O=C1OC(O[C@]23C1=C[C@@H]1[C@@](OC([C@@H]1C3)(C)C)(C2=O)CC=C(C)C)(C)C
• 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: 8.0045 ± 0.0002 Å
• b: 13.2751 ± 0.0004 Å
• c: 16.4708 ± 0.0005 Å
• α: 90°
• β: 92.417 ± 0.001°
• γ: 90°
• Cell volume: 1748.64 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No