Information card for entry 2224938

Structure parameters

• Chemical name: 2-[(Cyclopenta-1,3-dien-2-yl)diphenylmethyl]-1-methyl-1<i>H</i>-imidazole
• Formula: C22 H20 N2
• Calculated formula: C22 H20 N2
• SMILES: n1(c(ncc1)C(C1=CCC=C1)(c1ccccc1)c1ccccc1)C
• Title of publication: 2-[(Cyclopenta-1,3-dien-2-yl)diphenylmethyl]-1-methyl-1<i>H</i>-imidazole
• Authors of publication: Sun, Qi; Nie, Wanli; Borzov, Maxim V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o285 - o286
• a: 10.563 ± 0.005 Å
• b: 10.603 ± 0.005 Å
• c: 15.185 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1700.7 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes