Information card for entry 8106940

Structure parameters

• Formula: C18 H13 N5
• Calculated formula: C18 H13 N5
• Title of publication: Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
• Authors of publication: Meng, Jiang ping; Xu, Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 561 - 563
• a: 10.2582 ± 0.0004 Å
• b: 13.6507 ± 0.0004 Å
• c: 20.7982 ± 0.0009 Å
• α: 90°
• β: 101.194 ± 0.004°
• γ: 90°
• Cell volume: 2857 ± 0.19 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0874
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No