Information card for entry 4028272

Structure parameters

• Formula: C15 H18 O2
• Calculated formula: C15 H18 O2
• SMILES: o1cc(c2C[C@@]3([C@H](CCC=C3C(=O)c12)C)C)C
• 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: 7.1704 ± 0.0002 Å
• b: 9.1427 ± 0.0002 Å
• c: 9.7023 ± 0.0002 Å
• α: 90°
• β: 93.713 ± 0.002°
• γ: 90°
• Cell volume: 634.72 ± 0.03 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes