Information card for entry 2001315

Structure parameters

• Chemical name: 3,7-Diphenyl-5,6,10,11-Dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one
• Formula: C32 H24 O
• Calculated formula: C32 H24 O
• SMILES: C12=C(c3ccccc3C(=O)[C@]1(C[C@H]1c3ccccc3[C@@H]2C1)c1ccccc1)c1ccccc1.C12=C(c3ccccc3C(=O)[C@@]1(C[C@@H]1c3ccccc3[C@H]2C1)c1ccccc1)c1ccccc1
• Title of publication: 3,7-Diphenyl-5,6;10,11-dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one
• Authors of publication: Kashyap, R. P.; Watson, W. H.; Balcı, M.; Taskesenligil, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1865 - 1866
• a: 16.356 ± 0.004 Å
• b: 8.07 ± 0.002 Å
• c: 18.379 ± 0.003 Å
• α: 90°
• β: 114.55 ± 0.01°
• γ: 90°
• Cell volume: 2206.6 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0513
• Goodness-of-fit parameter for significantly intense reflections: 4.187
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No