Information card for entry 2223565

Structure parameters

• Chemical name: 5-<i>p</i>-tolyl-1<i>H</i>-tetrazole
• Formula: C8 H8 N4
• Calculated formula: C8 H8 N4
• Title of publication: 5-<i>p</i>-Tolyl-1<i>H</i>-tetrazole
• Authors of publication: Hu, Dong-Yue; Chu, Xiao-Wei; Qu, Zhi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2463
• a: 4.537 ± 0.0015 Å
• b: 17.729 ± 0.005 Å
• c: 9.778 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 786.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes