Information card for entry 2200475

Structure parameters

• Common name: cyclohexyl furan carboxylate derivative
• Chemical name: 2-(1-Naphthyl)cyclohexyl 3-furancarboxylate
• Formula: C21 H20 O3
• Calculated formula: C21 H20 O3
• SMILES: O([C@H]1[C@@H](CCCC1)c1c2ccccc2ccc1)C(=O)c1ccoc1.O([C@@H]1[C@H](CCCC1)c1c2ccccc2ccc1)C(=O)c1ccoc1
• Title of publication: 2-(1-Naphthyl)cyclohexyl 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: o800 - o801
• a: 9.1991 ± 0.0011 Å
• b: 7.384 ± 0.0005 Å
• c: 25.694 ± 0.003 Å
• α: 90°
• β: 100.03 ± 0.009°
• γ: 90°
• Cell volume: 1718.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.26
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes