Information card for entry 7114883

Structure parameters

• Formula: C26 H36 B Cl3 N2
• Calculated formula: C26 H36 B Cl3 N2
• SMILES: B1(N([C@@H](Cl)[C@@H](N1c1c(cccc1C(C)C)C(C)C)Cl)c1c(cccc1C(C)C)C(C)C)Cl.B1(N([C@H](Cl)[C@H](N1c1c(cccc1C(C)C)C(C)C)Cl)c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: Imine chloroboration: reaction of boron trichloride with a bulky diazadiene gives not a diazaborolium salt, but a 2,4,5-trichloro-1,3,2-diazaborolidine
• Authors of publication: Mair, Francis S.; Manning, Robert; Pritchard, Robin G.; Warren, John E.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1136
• a: 8.323 ± 0.004 Å
• b: 9.8086 ± 0.0003 Å
• c: 17.3535 ± 0.0001 Å
• α: 93.246 ± 0.003°
• β: 90.208 ± 0.002°
• γ: 115.035 ± 0.001°
• Cell volume: 1280.9 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No