Information card for entry 2215818

Structure parameters

• Chemical name: 5-(4'-Methylbiphenyl-2-yl)-2-triphenylmethyl-2H-tetrazole
• Formula: C33 H26 N4
• Calculated formula: C33 H26 N4
• SMILES: n1n(nnc1c1ccccc1c1ccc(cc1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 5-(4'-Methylbiphenyl-2-yl)-2-triphenylmethyl-2<i>H</i>-tetrazole
• Authors of publication: Wang, Guo-Xi; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4410 - o4410
• a: 12.529 ± 0.003 Å
• b: 12.71 ± 0.003 Å
• c: 17.707 ± 0.007 Å
• α: 90°
• β: 113.58 ± 0.02°
• γ: 90°
• Cell volume: 2584.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.148
• 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