Information card for entry 2240886

Structure parameters

• Chemical name: 3,9,9-Trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride
• Formula: C15 H22 Cl N
• Calculated formula: C15 H22 Cl N
• SMILES: [Cl-].[NH2+]1c2c(C([C@H]3[C@H]1[C@@H](C)CC3)(C)C)cccc2
• Title of publication: Crystal structure of 3,9,9-trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride
• Authors of publication: Sridhar, G.; Bilal, I. Mohammed; Easwaramoorthy, D.; Rani, S. Kutti; Solomon, K. Anand
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o525 - o526
• a: 7.0291 ± 0.0005 Å
• b: 10.3313 ± 0.0008 Å
• c: 18.9425 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.6 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes