Information card for entry 2102305

Structure parameters

• Formula: C5 H11 N
• Calculated formula: C5 H11 N
• SMILES: N1CCCCC1
• Title of publication: Structures of piperazine, piperidine and morpholine
• Authors of publication: Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 219 - 227
• a: 8.6989 ± 0.0007 Å
• b: 5.2642 ± 0.0004 Å
• c: 12.0097 ± 0.001 Å
• α: 90°
• β: 96.8 ± 0.001°
• γ: 90°
• Cell volume: 546.09 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0465
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No