Information card for entry 2007720

Structure parameters

• Common name: teysmanone A
• Formula: C27 H20 O5
• Calculated formula: C27 H20 O5
• SMILES: o1c(=O)cc(c2c1c(c1c(c2O)C=CC(C)(C)O1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A
• Authors of publication: Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1536 - 1540
• a: 9.0418 ± 0.0005 Å
• b: 16.7577 ± 0.001 Å
• c: 14.1879 ± 0.0009 Å
• α: 90°
• β: 106.315 ± 0.001°
• γ: 90°
• Cell volume: 2063.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.114
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No