Information card for entry 2009007

Structure parameters

• Chemical name: 1,3-diphenyl- 4-(P-Me-phenyl)- spiro pyrazoline [ 5.2']-1'tetralone.
• Formula: C31 H26 N2 O
• Calculated formula: C31 H26 N2 O
• SMILES: O=C1[C@@]2(N(N=C([C@H]2c2ccc(cc2)C)c2ccccc2)c2ccccc2)CCc2ccccc12.O=C1[C@]2(N(N=C([C@@H]2c2ccc(cc2)C)c2ccccc2)c2ccccc2)CCc2ccccc12
• Title of publication: 1',2',3',4'-Tetrahydro-1,3-diphenyl-4-<i>p</i>-tolylspiro[2-pyrazoline-5,2'-naphthalen]-1'-one
• Authors of publication: R. Krishna; D. Velmurugan; R. Murugesan; M. Shanmuga Sundaram; R. Raghunathan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1676 - 1677
• a: 10.58 ± 0.01 Å
• b: 16.1 ± 0.02 Å
• c: 13.954 ± 0.01 Å
• α: 90°
• β: 100.97 ± 0.01°
• γ: 90°
• Cell volume: 2333 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No