Information card for entry 2211660

Structure parameters

• Formula: C29 H26 O
• Calculated formula: C29 H26 O
• SMILES: O1c2c(c3ccccc3cc2)C=CC1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: 3,3-Bis(3,5-dimethylphenyl)-3<i>H</i>-benzo[<i>f</i>]chromene
• Authors of publication: Hua-Ming Huang; Qiao-Yun Du; Hong-Bing Yang; Jian-Ge Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5713 - o5715
• a: 11.529 ± 0.0008 Å
• b: 11.3445 ± 0.0008 Å
• c: 16.9415 ± 0.0012 Å
• α: 90°
• β: 94.124 ± 0.001°
• γ: 90°
• Cell volume: 2210.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes