Information card for entry 2200000

Structure parameters

• Common name: ricciocarpin A
• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: c1c([C@H]2OC(=O)[C@H]3CCCC([C@@H]3C2)(C)C)cco1
• Title of publication: Ricciocarpin A
• Authors of publication: Wang, Yanmei; Tan, Geok-Kheng; Koh, Lip-Lin; Harrison, Leslie J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3800 - o3801
• a: 8.506 ± 0.0007 Å
• b: 7.4661 ± 0.0007 Å
• c: 10.733 ± 0.001 Å
• α: 90°
• β: 102.626 ± 0.002°
• γ: 90°
• Cell volume: 665.13 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes