Information card for entry 2239728

Structure parameters

• Chemical name: 3-Methylbenzo[1,2-<i>c</i>:5,4-<i>c</i>']dichromen-6(8<i>H</i>)-one
• Formula: C21 H14 O3
• Calculated formula: C21 H14 O3
• SMILES: C1(=O)c2cc3COc4ccccc4c3cc2c2ccc(cc2O1)C
• Title of publication: 3-Methylbenzo[1,2-<i>c</i>:5,4-<i>c</i>']dichromen-6(8<i>H</i>)-one
• Authors of publication: Kayalvizhi, M.; Vasuki, G.; Khatri, Adil I.; Samant, Shriniwas D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o838
• a: 20.7595 ± 0.0016 Å
• b: 20.78 ± 0.0016 Å
• c: 28.427 ± 0.002 Å
• α: 90°
• β: 100.489 ± 0.002°
• γ: 90°
• Cell volume: 12058 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes