Information card for entry 7150770

Structure parameters

• Formula: C23 H22 O6
• Calculated formula: C23 H22 O6
• SMILES: c12ccccc1C(=O)[C@]13[C@H]([C@@H]4C[C@@H]5[C@]1([C@@](C4=O)(C/C=C(C=O)\C)OC5(C)C)O2)O3.c12ccccc1C(=O)[C@@]13[C@@H]([C@H]4C[C@H]5[C@@]1([C@](C4=O)(C/C=C(C=O)\C)OC5(C)C)O2)O3
• 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: 9.8298 ± 0.0005 Å
• b: 9.8418 ± 0.0004 Å
• c: 20.5815 ± 0.0009 Å
• α: 89.13 ± 0.003°
• β: 89.002 ± 0.004°
• γ: 67.618 ± 0.003°
• Cell volume: 1840.76 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No