Information card for entry 2217310

Structure parameters

• Chemical name: 1,3,5-Tris(2H-tetrazol-5-ylmethoxy)benzene
• Formula: C12 H12 N12 O3
• Calculated formula: C12 H12 N12 O3
• SMILES: O(c1cc(OCc2[nH]nnn2)cc(OCc2nnn[nH]2)c1)Cc1[nH]nnn1
• Title of publication: 1,3,5-Tris(2<i>H</i>-tetrazol-5-ylmethoxy)benzene
• Authors of publication: Luo, Hui-Zhou; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o136 - o136
• a: 4.9851 ± 0.0004 Å
• b: 11.8822 ± 0.0007 Å
• c: 14.1349 ± 0.0013 Å
• α: 99.6 ± 0.03°
• β: 92.87 ± 0.02°
• γ: 100.943 ± 0.015°
• Cell volume: 807.64 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes