Information card for entry 4129862

Structure parameters

• Formula: C19 H19 N O2.2
• Calculated formula: C19 H18.83 N O2.17
• Title of publication: Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.
• Authors of publication: Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 1
• Pages of publication: 369 - 374
• a: 8.2495 ± 0.0003 Å
• b: 12.0484 ± 0.0003 Å
• c: 14.9606 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.98 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No