Information card for entry 2204863

Structure parameters

• Formula: C23 H28 O2
• Calculated formula: C23 H28 O2
• SMILES: O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1C2=CC(=O)CC1)C)C
• Title of publication: 3-Methoxy-19-norpentara-1,3,5(10),17(20)-tetraen-21-one
• Authors of publication: Masataka Watanabe; Taisuke Matsumoto; Shuntaro Mataka; Thies Thiemann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o169 - o171
• a: 10.98 ± 0.004 Å
• b: 12.499 ± 0.004 Å
• c: 12.865 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.6 ± 1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes