Information card for entry 7118780

Structure parameters

• Formula: C40 H47 B N4 O2 Zn
• Calculated formula: C40 H47 B N4 O2 Zn
• Title of publication: Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.
• Authors of publication: Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4148 - 4151
• a: 14.4273 ± 0.0007 Å
• b: 14.5211 ± 0.001 Å
• c: 21.5927 ± 0.0015 Å
• α: 100.551 ± 0.002°
• β: 91.968 ± 0.002°
• γ: 102.418 ± 0.002°
• Cell volume: 4330.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1285
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No