Information card for entry 2100339

Structure parameters

• Common name: cyclopropylamine
• Formula: C3 H7 N
• Calculated formula: C3 H7 N
• SMILES: NC1CC1
• Title of publication: Pressure-induced polymorphism in cyclopropylamine
• Authors of publication: Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: 717 - 723
• a: 5.0741 ± 0.001 Å
• b: 9.7594 ± 0.001 Å
• c: 13.305 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 658.87 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No