Information card for entry 7115128

Structure parameters

• Chemical name: cis(1R*,2S*)-2-hydroxy-1-cyclopentanecarboxamide
• Formula: C6 H11 N O2
• Calculated formula: C6 H11 N O2
• SMILES: [C@H]1([C@@H](CCC1)O)C(=O)N.[C@@H]1([C@H](CCC1)O)C(=O)N
• Title of publication: Supramolecular similarities between a diastereomer pair and their truncated derivative: common tetrameric synthon and isostructurality
• Authors of publication: Kálmán, Alajos; Fábián, László; Argay, Gyula
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2255
• a: 11.693 ± 0.002 Å
• b: 7.225 ± 0.001 Å
• c: 7.902 ± 0.002 Å
• α: 90°
• β: 103.7 ± 0.03°
• γ: 90°
• Cell volume: 648.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No