Information card for entry 2235335

Structure parameters

• Chemical name: 9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9- tetrahydro-1<i>H</i>-xanthen-1-one
• Formula: C23 H26 O4
• Calculated formula: C23 H26 O4
• Title of publication: 9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one
• Authors of publication: Kurbanova, Malahat M.; Gurbanov, Atash V.; Mahmudov, Kamran T.; Maharramov, Abel M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1606
• a: 15.3583 ± 0.0005 Å
• b: 11.3833 ± 0.0004 Å
• c: 22.207 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3882.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes