Information card for entry 4126118

Structure parameters

• Formula: C27 H34 B N4 O2 P
• Calculated formula: C27 H34 B N4 O2 P
• SMILES: B1(N(c2c(cccc2)N2c3ccccc3N(C)P2NCc2ccccc2)C)OC(C(C)(C)O1)(C)C
• Title of publication: P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.
• Authors of publication: Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 6008 - 6016
• a: 10.7971 ± 0.0012 Å
• b: 11.4825 ± 0.0013 Å
• c: 12.3601 ± 0.0014 Å
• α: 89.49 ± 0.002°
• β: 65.116 ± 0.002°
• γ: 71.217 ± 0.002°
• Cell volume: 1301.7 ± 0.3 ų
• Cell temperature: 213.5 K
• Ambient diffraction temperature: 213.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No