Information card for entry 7206441

Structure parameters

• Common name: pyrrolidine
• Chemical name: azacyclopentane
• Formula: C4 H9 N
• Calculated formula: C4 H9 N
• SMILES: N1CCCC1
• Title of publication: Pressure-induced pseudorotation in crystalline pyrrolidine.
• Authors of publication: Dziubek, Kamil F.; Katrusiak, Andrzej
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 34
• Pages of publication: 15428 - 15431
• a: 7.702 ± 0.002 Å
• b: 4.938 ± 0.001 Å
• c: 10.572 ± 0.002 Å
• α: 94.37 ± 0.03°
• β: 98.54 ± 0.03°
• γ: 99.59 ± 0.03°
• Cell volume: 389.96 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 1500000 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No