Information card for entry 4129191

Structure parameters

• Formula: C32 H29 B2 F8 N7 Ru
• Calculated formula: C32 H29 B2 F8 N7 Ru
• Title of publication: Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation
• Authors of publication: Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.3443 ± 0.0003 Å
• b: 9.168 ± 0.0002 Å
• c: 21.3184 ± 0.0009 Å
• α: 90°
• β: 98.157 ± 0.003°
• γ: 90°
• Cell volume: 1614.37 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No