Information card for entry 2015549

Structure parameters

• Chemical name: 9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
• Formula: C19 H21 N O
• Calculated formula: C19 H21 N O
• SMILES: C1CC[C@H]2[C@@H](c3ccccc3)Nc3ccc(cc3[C@H]2O1)C.C1CC[C@@H]2[C@H](c3ccccc3)Nc3ccc(cc3[C@@H]2O1)C
• Title of publication: Imino Diels‒Alder adducts. XII. 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: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o574 - o576
• a: 8.2596 ± 0.0007 Å
• b: 10.0084 ± 0.0009 Å
• c: 10.1134 ± 0.0009 Å
• α: 66.435 ± 0.001°
• β: 81.927 ± 0.002°
• γ: 77.141 ± 0.001°
• Cell volume: 745.85 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No