Information card for entry 2200477

Structure parameters

• Common name: cyclohexyl furan carboxylate derivative
• Chemical name: 2-(1-Naphthyl)cyclohexyl 2-methylfuran-3-carboxylate
• Formula: C22 H22 O3
• Calculated formula: C22 H22 O3
• SMILES: O([C@@H]1[C@H](CCCC1)c1c2ccccc2ccc1)C(=O)c1ccoc1C.O([C@H]1[C@@H](CCCC1)c1c2ccccc2ccc1)C(=O)c1ccoc1C
• Title of publication: 2-(1-Naphthyl)cyclohexyl 2-methylfuran-3-carboxylate
• 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: o804 - o805
• a: 21.774 ± 0.003 Å
• b: 10.694 ± 0.002 Å
• c: 18.43 ± 0.003 Å
• α: 90°
• β: 122.38 ± 0.01°
• γ: 90°
• Cell volume: 3624.2 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.146
• 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