Information card for entry 2205532

Structure parameters

• Chemical name: 9-Butyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
• Formula: C17 H22 O3
• Calculated formula: C17 H22 O3
• Title of publication: 9-Butyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione
• Authors of publication: Yu-Lin Zhu; Shen-Lin Huang; Yuan-Jiang Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1139 - o1140
• a: 15.121 ± 0.004 Å
• b: 8.872 ± 0.002 Å
• c: 11.025 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1479 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No