Information card for entry 4514775

Structure parameters

• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: c1ccccc1C(=O)CC[C@@H]1C[C@H]2c3ccccc3[C@@H]1O2
• Title of publication: Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes
• Authors of publication: Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 5638
• a: 9.663 ± 0.0002 Å
• b: 9.7186 ± 0.0002 Å
• c: 31.0442 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.39 ± 0.11 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: 0.0296
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No