Information card for entry 2227543

Structure parameters

• Chemical name: 5-(3-Chlorophenyl)-2-phenyl-3,4-dihydro-2<i>H</i>-pyrrole
• Formula: C16 H14 Cl N
• Calculated formula: C16 H14 Cl N
• SMILES: Clc1cc(ccc1)C1=NC(CC1)c1ccccc1
• Title of publication: 5-(3-Chlorophenyl)-2-phenyl-3,4-dihydro-2<i>H</i>-pyrrole
• Authors of publication: Yang, Guiqiu; Su, Xiaoqing; Lv, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2782
• a: 18.2543 ± 0.0018 Å
• b: 5.6398 ± 0.0005 Å
• c: 13.0095 ± 0.0013 Å
• α: 90°
• β: 97.129 ± 0.002°
• γ: 90°
• Cell volume: 1329 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes