Information card for entry 2230749

Structure parameters

• Chemical name: 3-Phenyl-1-(<i>p</i>-tolyl)-1<i>H</i>-benzo[<i>f</i>]chromene benzene hemisolvate
• Formula: C29 H23 O
• Calculated formula: C29 H23 O
• SMILES: Cc1ccc(cc1)C1C=C(Oc2c1c1ccccc1cc2)c1ccccc1.c1ccccc1
• Title of publication: 3-Phenyl-1-(<i>p</i>-tolyl)-1<i>H</i>-benzo[<i>f</i>]chromene benzene hemisolvate
• Authors of publication: Xue, Meng Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1668
• a: 12.653 ± 0.003 Å
• b: 5.9049 ± 0.0012 Å
• c: 29.974 ± 0.008 Å
• α: 90°
• β: 109.08 ± 0.03°
• γ: 90°
• Cell volume: 2116.5 ± 1 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: 0.2235
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes