Information card for entry 2004156

Structure parameters

• Chemical name: cis-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4H-benzo[b]quinolizin-4-one
• Formula: C14 H17 N O
• Calculated formula: C14 H17 N O
• SMILES: [C@H]1(c2ccccc2C[C@H]2CCCC(=O)N12)C.[C@@H]1(c2ccccc2C[C@@H]2CCCC(=O)N12)C
• Title of publication: <i>cis</i>-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4<i>H</i>-benzo[<i>b</i>]quinolizin-4-one
• Authors of publication: Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2307 - 2309
• a: 18.541 ± 0.001 Å
• b: 8.291 ± 0.002 Å
• c: 15.366 ± 0.001 Å
• α: 90°
• β: 97.26 ± 0.01°
• γ: 90°
• Cell volume: 2343.2 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 1.449
• Goodness-of-fit parameter for significantly intense reflections: 1.555
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No