Information card for entry 2003256

Structure parameters

• Chemical name: 1-diphenylmethylene-4-triphenylmethyl-cyclohexa-2,5-diene
• Formula: C44 H36
• Calculated formula: C44 H36
• SMILES: C(c1ccccc1)(c1ccccc1)(c1ccccc1)C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1.c1ccccc1
• Title of publication: 1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate
• Authors of publication: Bochkarev, L. N.; Molosnova, N. E.; Zakharov, L. N.; Fukin, G. K.; Yanovsky, A. I.; Struchkov, Y. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 489 - 491
• a: 10.555 ± 0.003 Å
• b: 12.68 ± 0.003 Å
• c: 13.675 ± 0.004 Å
• α: 62.42 ± 0.02°
• β: 87.01 ± 0.02°
• γ: 85.63 ± 0.02°
• Cell volume: 1617.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.179
• Weighted residual factors for significantly intense reflections: 0.1291
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No