Information card for entry 2006374

Structure parameters

• Formula: C14 H22 N4
• Calculated formula: C14 H22 N4
• SMILES: CC1=C[C@H]2[C@H](CC1)n1nnnc1CCCC2(C)C
• Title of publication: (1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene
• Authors of publication: Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1139 - 1141
• a: 9.582 ± 0.001 Å
• b: 10.495 ± 0.002 Å
• c: 13.498 ± 0.003 Å
• α: 90 ± 0.2°
• β: 90 ± 0.3°
• γ: 90 ± 0.3°
• Cell volume: 1357.4 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.056
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 1.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes