Information card for entry 8105871

Structure parameters

• Formula: C22 H27 N3 O
• Calculated formula: C22 H27 N3 O
• Title of publication: Crystal structure of 2-((1H-benzo[d]imidazol-2-ylimino)methyl)-4,6-di-tert-butylphenol, C22H27N3O
• Authors of publication: Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Wei, Jun-Jun; Guo, Da-Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 851 - 853
• a: 18.4984 ± 0.0004 Å
• b: 11.4221 ± 0.0003 Å
• c: 9.796 ± 0.00019 Å
• α: 90°
• β: 90.9652 ± 0.0019°
• γ: 90°
• Cell volume: 2069.51 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No