Information card for entry 2008894

Structure parameters

• Chemical name: 1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethylxanthen-1,8-dione
• Formula: C17 H22 O3
• Calculated formula: C17 H22 O3
• SMILES: O=C1CC(CC2=C1CC1=C(CC(CC1=O)(C)C)O2)(C)C
• Title of publication: Two tetramethylxanthenediones
• Authors of publication: Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1515 - 1517
• a: 7.1458 ± 0.0008 Å
• b: 9.769 ± 0.0012 Å
• c: 11.886 ± 0.002 Å
• α: 110.784 ± 0.01°
• β: 96.074 ± 0.011°
• γ: 101.302 ± 0.01°
• Cell volume: 746.65 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.123
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No