Information card for entry 2231992

Structure parameters

• Chemical name: (4<i>R</i>)-4-(biphenyl-4-yl)-7-chloro-1,2,3,4-tetrahydroquinoline
• Formula: C21 H18 Cl N
• Calculated formula: C21 H18 Cl N
• SMILES: Clc1cc2NCC[C@@H](c2cc1)c1ccc(cc1)c1ccccc1
• Title of publication: (4<i>R</i>)-4-(Biphenyl-4-yl)-7-chloro-1,2,3,4-tetrahydroquinoline
• Authors of publication: Theissmann, Thomas; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2747
• a: 5.5354 ± 0.0004 Å
• b: 8.0039 ± 0.0004 Å
• c: 35.8207 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1587.03 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes