Information card for entry 2016796

Structure parameters

• Common name: azetidine
• Chemical name: azetidine
• Formula: C3 H7 N
• Calculated formula: C3 H7 N
• SMILES: N1CCC1
• Title of publication: Azetidine, pyrrolidine and hexamethyleneimine at 170K
• Authors of publication: Bond, Andrew D.; Davies, John E.; Parsons, Simon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o543 - o546
• a: 9.507 ± 0.003 Å
• b: 9.122 ± 0.003 Å
• c: 9.79 ± 0.003 Å
• α: 90°
• β: 117.469 ± 0.004°
• γ: 90°
• Cell volume: 753.3 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes