Information card for entry 2201528

Structure parameters

• Chemical name: (S,S)-N-cyclohexyl-3,4-dihydroxypyrrolidine
• Formula: C10 H19 N O2
• Calculated formula: C10 H19 N O2
• SMILES: O[C@H]1CN(C[C@@H]1O)C1CCCCC1
• Title of publication: (<i>S,S</i>)-<i>N</i>-Cyclohexyl-3,4-dihydroxypyrrolidine
• Authors of publication: Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Elisa S. Serra, M.; Rocha Gonsalves, A. M. d'A.; Silva, V. F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1285 - o1287
• a: 6.605 ± 0.005 Å
• b: 25.23 ± 0.008 Å
• c: 6.87 ± 0.005 Å
• α: 90°
• β: 113.22 ± 0.05°
• γ: 90°
• Cell volume: 1052.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes