Information card for entry 2014542

Structure parameters

• Chemical name: 9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
• Formula: C17 H15 Cl F N O
• Calculated formula: C17 H15 Cl F N O
• SMILES: Clc1c(F)ccc2N[C@H]([C@@H]3[C@@H](OCC3)c12)c1ccccc1.Clc1c(F)ccc2N[C@@H]([C@H]3[C@H](OCC3)c12)c1ccccc1
• Title of publication: Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers
• Authors of publication: Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o887 - o889
• a: 8.1796 ± 0.0006 Å
• b: 17.9041 ± 0.0012 Å
• c: 9.6562 ± 0.0007 Å
• α: 90°
• β: 91.017 ± 0.001°
• γ: 90°
• Cell volume: 1413.91 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes