Information card for entry 2231424

Structure parameters

• Common name: 9-Benzyl-δ-carboline
• Chemical name: 5-Benzyl-5<i>H</i>-pyrido[3,2-<i>b</i>]indole
• Formula: C18 H14 N2
• Calculated formula: C18 H14 N2
• SMILES: n1(c2ccccc2c2ncccc12)Cc1ccccc1
• Title of publication: 5-Benzyl-5<i>H</i>-pyrido[3,2-<i>b</i>]indole
• Authors of publication: Letessier, Julien; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2341
• a: 11.295 ± 0.004 Å
• b: 10.482 ± 0.004 Å
• c: 11.961 ± 0.004 Å
• α: 90°
• β: 110.387 ± 0.011°
• γ: 90°
• Cell volume: 1327.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes