Information card for entry 2221255

Structure parameters

• Chemical name: 3,3,6,6-Tetramethyl-9-phenyl-3,4,5,6-tetrahydro-9<i>H</i>-xanthene- 1,8(2<i>H</i>,7<i>H</i>)-dione
• Formula: C23 H26 O3
• Calculated formula: C23 H26 O3
• SMILES: C12=C(C(C3=C(CC(CC3=O)(C)C)O2)c2ccccc2)C(=O)CC(C1)(C)C
• Title of publication: 3,3,6,6-Tetramethyl-9-phenyl-3,4,5,6-tetrahydro-9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione
• Authors of publication: Reddy, B. Palakshi; Vijayakumar, V.; Narasimhamurthy, T.; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o916
• a: 6.0562 ± 0.0005 Å
• b: 19.768 ± 0.0018 Å
• c: 16.4325 ± 0.0013 Å
• α: 90°
• β: 97.924 ± 0.003°
• γ: 90°
• Cell volume: 1948.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes