Information card for entry 2006294

Structure parameters

• Chemical name: 1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1-imino-3-one
• Formula: C25 H25 N O
• Calculated formula: C25 H25 N O
• SMILES: O=C(/C(=C/1C2CC3CC1CC(C3)C2)C(=N)c1ccccc1)c1ccccc1
• Title of publication: 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives
• Authors of publication: Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 956 - 959
• a: 10.196 ± 0.001 Å
• b: 15.478 ± 0.001 Å
• c: 12.664 ± 0.003 Å
• α: 90°
• β: 106.36 ± 0.01°
• γ: 90°
• Cell volume: 1917.6 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.08
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 2.8
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No