Information card for entry 4028273

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O=C1[C@]([C@H](CCC1)C)(C)Cc1cocc1C
• Title of publication: An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin
• Authors of publication: Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5282 - 5292
• a: 6.3404 ± 0.0001 Å
• b: 12.4922 ± 0.0001 Å
• c: 15.402 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1219.92 ± 0.02 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No