Information card for entry 2204488

Structure parameters

• Common name: 3,3-Pentamethylenediaziridine
• Chemical name: 3,3-Pentamethylenediaziridine
• Formula: C6 H12 N2
• Calculated formula: C6 H12 N2
• Title of publication: 3,3-Pentamethylenediaziridine
• Authors of publication: Charette, André B.; Legault, Claude; Bélanger-Gariépy, Francine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1921 - o1922
• a: 10.373 ± 0.003 Å
• b: 8.037 ± 0.003 Å
• c: 8.077 ± 0.003 Å
• α: 90°
• β: 98.86 ± 0.03°
• γ: 90°
• Cell volume: 665.3 ± 0.4 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: 0.0476
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections: 0.896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes