Information card for entry 8102429

Structure parameters

• Formula: C11 H11 N4
• Calculated formula: C11 H11 N4
• Title of publication: Crystal structure of 1,4-bis[(2-phenylazo)imidazol- 1-yl]-butane, C22H22N8
• Authors of publication: Jing-Jing Hu; Chuan-Ming Jin; Zhu Zhu; Hong-Feng Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 219
• a: 8.185 ± 0.0011 Å
• b: 12.9063 ± 0.0017 Å
• c: 9.8571 ± 0.0013 Å
• α: 90°
• β: 101.572 ± 0.002°
• γ: 90°
• Cell volume: 1020.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No