Information card for entry 2018149

Structure parameters

• Common name: β-carboline norharman
• Chemical name: 9<i>H</i>-pyrido[3,4-<i>b</i>]indole
• Formula: C11 H8 N2
• Calculated formula: C11 H8 N2
• SMILES: c1c2c(ccn1)c1c(cccc1)[nH]2
• Title of publication: β-Carboline (norharman)
• Authors of publication: Thatcher, Robert J.; Douthwaite, Richard E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o241 - o243
• a: 5.8272 ± 0.0004 Å
• b: 9.8245 ± 0.0004 Å
• c: 14.3943 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 824.06 ± 0.09 ų
• Cell temperature: 110.3 K
• Ambient diffraction temperature: 110.3 K
• Number of distinct elements: 3
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes