Information card for entry 2237282

Structure parameters

• Chemical name: 5,11-Dimethyl-6,12-dimethoxyindolo[3,2-<i>b</i>]carbazole
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: COc1c2c(c(c3c1c1ccccc1n3C)OC)c1c(n2C)cccc1
• Title of publication: 5,11-Dimethyl-6,12-dimethoxyindolo[3,2-<i>b</i>]carbazole
• Authors of publication: Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o255
• a: 11.229 ± 0.004 Å
• b: 7.8561 ± 0.0007 Å
• c: 9.668 ± 0.003 Å
• α: 90°
• β: 94.79 ± 0.017°
• γ: 90°
• Cell volume: 849.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes