Information card for entry 2014880

Structure parameters

• Chemical name: 8-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
• Formula: C18 H17 Cl F N O
• Calculated formula: C18 H17 Cl F N O
• SMILES: Clc1c(F)cc2c(N[C@@H]([C@@H]3CCCO[C@H]23)c2ccccc2)c1.Clc1c(F)cc2c(N[C@H]([C@H]3CCCO[C@@H]23)c2ccccc2)c1
• Title of publication: Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines
• Authors of publication: K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o267 - o269
• a: 10.5399 ± 0.0007 Å
• b: 11.2005 ± 0.0007 Å
• c: 13.495 ± 0.0009 Å
• α: 82.597 ± 0.001°
• β: 83.89 ± 0.001°
• γ: 80.884 ± 0.001°
• Cell volume: 1553.85 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes