Information card for entry 2001173

Structure parameters

• Formula: C16 H20 O3
• Calculated formula: C16 H20 O3
• SMILES: O(c1cc2[C@@H]3CC[C@@H](O)[C@](Cc2cc1C)(C3=O)C)C.O(c1cc2[C@H]3CC[C@H](O)[C@@](Cc2cc1C)(C3=O)C)C
• Title of publication: Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one
• Authors of publication: Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2140 - 2141
• a: 8.594 ± 0.002 Å
• b: 14.045 ± 0.006 Å
• c: 11.509 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.2 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No