Information card for entry 2204960

Structure parameters

• Chemical name: 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
• Formula: C17 H16 Cl N O
• Calculated formula: C17 H16 Cl N O
• SMILES: Clc1ccc([C@H]2Nc3c(cccc3)[C@H]3OCC[C@@H]23)cc1.Clc1ccc([C@@H]2Nc3c(cccc3)[C@@H]3OCC[C@H]23)cc1
• Title of publication: A diastereoisomer of furo[3,2-<i>c</i>]quinoline
• Authors of publication: Ravikumar, K.; Sridhar, B.; Mahesh, M.; Narayana Reddy, V. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o195 - o197
• a: 14.1068 ± 0.0009 Å
• b: 9.5526 ± 0.0006 Å
• c: 21.1298 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2847.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes