Information card for entry 2211828

Structure parameters

• Chemical name: (S)-5-(2,6-Dichlorophenyl)-3-(2-naphthyl)-1-phenyl-2-pyrazoline trichloromethane hemisolvate
• Formula: C25.5 H18.5 Cl3.5 N2
• Calculated formula: C51 H37 Cl7 N4
• Title of publication: (<i>SR</i>)-5-(2,6-Dichlorophenyl)-3-(2-naphthyl)-1-phenyl-2-pyrazoline trichloromethane hemisolvate
• Authors of publication: Lu, Zhi-Ke; Xie, Bi-Xia; Huang, Peng-Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o75 - o76
• a: 14.494 ± 0.003 Å
• b: 10.616 ± 0.002 Å
• c: 15.573 ± 0.003 Å
• α: 90°
• β: 107.91 ± 0.004°
• γ: 90°
• Cell volume: 2280.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.105
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes