Information card for entry 4505016

Structure parameters

• Chemical name: cis-2-aminocyclopentanecarboxylic acid
• Formula: C6 H11 N O2
• Calculated formula: C6 H11 N O2
• SMILES: [NH3+][C@H]1[C@H](CCC1)C(=O)[O-].[NH3+][C@@H]1[C@@H](CCC1)C(=O)[O-]
• Title of publication: Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers
• Authors of publication: Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 773
• a: 5.123 ± 0.002 Å
• b: 6.374 ± 0.001 Å
• c: 10.931 ± 0.002 Å
• α: 97.9 ± 0.01°
• β: 99.08 ± 0.02°
• γ: 110.49 ± 0.02°
• Cell volume: 322.93 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.423
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No