Information card for entry 4514873

Structure parameters

• Formula: C18 H28 O2
• Calculated formula: C18 H28 O2
• Title of publication: Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes
• Authors of publication: Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1973
• a: 15.378 ± 0.003 Å
• b: 15.378 ± 0.003 Å
• c: 5.9449 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1217.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No