Information card for entry 2214863

Structure parameters

• Common name: 1-Dehydroabietyl-4,5-diphenyl-1<i>H</i>-imidazole
• Chemical name: 1-(7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren- 1-ylmethyl)-4,5-diphenyl-1<i>H</i>-imidazole
• Formula: C35 H40 N2
• Calculated formula: C35 H40 N2
• SMILES: n1(c(c(nc1)c1ccccc1)c1ccccc1)C[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C
• Title of publication: 1-Dehydroabietyl-4,5-diphenyl-1<i>H</i>-imidazole
• Authors of publication: Dawei Jiang; Min Hong; Fei Qiu; Jin Zhu; Lequn Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3623 - o3624
• a: 9.9157 ± 0.0009 Å
• b: 12.3466 ± 0.0011 Å
• c: 23.058 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0741
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes