Information card for entry 1516749

Structure parameters

• Formula: C3 H8 N2 O2
• Calculated formula: C3 H8 N2 O2
• Title of publication: Unusually weak binding interactions in tetrazole-amidine complexes.
• Authors of publication: Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1279 - 1282
• a: 6.4456 ± 0.0009 Å
• b: 6.4456 ± 0.0009 Å
• c: 12.53 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 520.57 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No