Information card for entry 2213489

Structure parameters

• Chemical name: 2-Hydroxycyclohexyl 1H-pyrrole-2-carboxylate
• Formula: C11 H15 N O3
• Calculated formula: C11 H15 N O3
• SMILES: O([C@H]1[C@H](O)CCCC1)C(=O)c1[nH]ccc1.O([C@@H]1[C@@H](O)CCCC1)C(=O)c1[nH]ccc1
• Title of publication: 2-Hydroxycyclohexyl 1<i>H</i>-pyrrole-2-carboxylate
• Authors of publication: Dong, Li; Yin, Zhen-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2758 - o2760
• a: 5.266 ± 0.005 Å
• b: 9.35 ± 0.008 Å
• c: 11.932 ± 0.01 Å
• α: 67.439 ± 0.011°
• β: 84.836 ± 0.012°
• γ: 85.742 ± 0.012°
• Cell volume: 539.8 ± 0.8 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: 0.0557
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes