Information card for entry 4134013

Structure parameters

• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• Title of publication: Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.
• Authors of publication: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 4
• Pages of publication: 1740 - 1745
• a: 5.9996 ± 0.0001 Å
• b: 11.7006 ± 0.0002 Å
• c: 25.9222 ± 0.0005 Å
• α: 90°
• β: 95.015 ± 0.002°
• γ: 90°
• Cell volume: 1812.74 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No