Information card for entry 2013663

Structure parameters

• Chemical name: 2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• Title of publication: 2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
• Authors of publication: Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o666 - o668
• a: 18.8968 ± 0.0004 Å
• b: 18.8989 ± 0.0004 Å
• c: 8.7038 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3108.38 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes