Information card for entry 1548841

Structure parameters

• Chemical name: 9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione
• Formula: C24 H26 O4
• Calculated formula: C24 H26 O4
• SMILES: C1(=O)CC(CC2=C1C(C1=C(CC(CC1=O)(C)C)O2)c1ccc(cc1)C=O)(C)C
• Title of publication: 9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione
• Authors of publication: Kalaivanan, R.; Sughanya, V.; Sureshbabu, N.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x180105
• a: 15.1185 ± 0.0014 Å
• b: 11.0273 ± 0.0009 Å
• c: 24.141 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes