Information card for entry 2012098

Structure parameters

• Chemical name: 3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'- 1',2',3',4'-tetrahydronaphthalen-1'-one
• Formula: C24 H18 Cl N O2
• Calculated formula: C24 H18 Cl N O2
• SMILES: Clc1ccc(C2=NO[C@]3([C@H]2c2ccccc2)CCc2ccccc2C3=O)cc1.Clc1ccc(C2=NO[C@@]3([C@@H]2c2ccccc2)CCc2ccccc2C3=O)cc1
• Title of publication: 3-(<i>p</i>-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one
• Authors of publication: Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 819 - 820
• a: 9.2559 ± 0.0008 Å
• b: 10.9527 ± 0.0009 Å
• c: 11.6466 ± 0.001 Å
• α: 62.867 ± 0.002°
• β: 71.01 ± 0.002°
• γ: 78.653 ± 0.002°
• Cell volume: 991.93 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes