Information card for entry 2231163

Structure parameters

• Chemical name: 9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro-3<i>H</i>- xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione
• Formula: C23 H26 O4
• Calculated formula: C23 H26 O4
• SMILES: O1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(CC2=O)(C)C)c1ccc(O)cc1
• Title of publication: 9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Rajesh, K.; Vijayakumar, V.; Sarveswari, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1876 - o1877
• a: 9.3525 ± 0.0001 Å
• b: 10.214 ± 0.0001 Å
• c: 11.6913 ± 0.0001 Å
• α: 67.271 ± 0.001°
• β: 76.119 ± 0.001°
• γ: 69.419 ± 0.001°
• Cell volume: 957.322 ± 0.018 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0452
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes