Information card for entry 2200032

Structure parameters

• Chemical name: 11H-Pyridinium[2,3h]-7,8,9,10-tetrahydrocarbazole chloride
• Formula: C15 H15 Cl N2
• Calculated formula: C15 H15 Cl N2
• SMILES: [Cl-].[nH+]1cccc2ccc3c4CCCCc4[nH]c3c12
• Title of publication: 7,8,9,10-Tetrahydro-11<i>H</i>-pyrido[2,3-<i>a</i>]carbazol-1-ium chloride
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o43 - o44
• a: 15.9111 ± 0.0006 Å
• b: 5.0374 ± 0.0002 Å
• c: 17.1233 ± 0.0009 Å
• α: 90°
• β: 113.933 ± 0.0017°
• γ: 90°
• Cell volume: 1254.44 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes