Information card for entry 1552366

Structure parameters

• Formula: C18 H22 O
• Calculated formula: C18 H22 O
• SMILES: C12=C(CCC1=O)C=CC[C@H]1[C@H](C(=C)C)CCC(=C21)C
• Title of publication: Enantioselective Construction of the Tricyclic Core of Curcusones A‒D via a Cross-electrophile Coupling Approach
• Authors of publication: Wright, Austin C.; Stoltz, Brian M.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 6.7708 ± 0.0006 Å
• b: 10.8979 ± 0.001 Å
• c: 19.414 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1432.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.07
• 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: No