Information card for entry 2224745

Structure parameters

• Chemical name: 8-Methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-<i>c</i>]quinoline
• Formula: C18 H19 N O
• Calculated formula: C18 H19 N O
• SMILES: Cc1ccc2c(c1)[C@H]1OCC[C@H]1C(N2)c1ccccc1.Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1C(N2)c1ccccc1
• Title of publication: 8-Methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-<i>c</i>]quinoline
• Authors of publication: Lu, Pingping; Lian, Chaomei; Zhu, Yulin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o17
• a: 12.751 ± 0.004 Å
• b: 17.78 ± 0.005 Å
• c: 17.516 ± 0.004 Å
• α: 90°
• β: 132.426 ± 0.014°
• γ: 90°
• Cell volume: 2931.3 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1749
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes