Information card for entry 2200476

Structure parameters

• Common name: cyclohexyl furan carboxylate derivative
• Chemical name: 2-Phenyl-cyclohexyl-3-furan carboxylate
• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• SMILES: O([C@H]1[C@@H](CCCC1)c1ccccc1)C(=O)c1ccoc1.O([C@@H]1[C@H](CCCC1)c1ccccc1)C(=O)c1ccoc1
• Title of publication: 2-Phenylcyclohexyl 3-furancarboxylate
• Authors of publication: Parvez, Masood; Hunt, Ian R.; Keay, Brian A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o802 - o803
• a: 5.5332 ± 0.0011 Å
• b: 12.841 ± 0.002 Å
• c: 20.088 ± 0.003 Å
• α: 90°
• β: 96.52 ± 0.02°
• γ: 90°
• Cell volume: 1418.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.165
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes