Information card for entry 2001643

Structure parameters

• Formula: C15 H18 O4
• Calculated formula: C15 H18 O4
• SMILES: CC1=C(O)C(=O)[C@]23C(=O)[C@H]1C[C@@]2(C)C(=O)CC[C@H]3C
• Title of publication: β-Homopipitzolone
• Authors of publication: Huipe-Nava, E.; Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Mendoza, V.; Garcia G., E.; Guzman, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1207 - 1209
• a: 9.045 ± 0.003 Å
• b: 9.67 ± 0.003 Å
• c: 14.807 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.1 ± 0.7 ų
• Cell temperature: 153 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for significantly intense reflections: 0.52
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No