Information card for entry 4078572

Structure parameters

• Formula: C27 H37 B Cl2 N2
• Calculated formula: C27 H37 B Cl2 N2
• SMILES: [B]1(Cl)(Cl)N(C(=CC(=[N]1c1c(cccc1C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C)C
• Title of publication: Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes
• Authors of publication: Xie, Liang; Hu, Hongfan; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4405
• a: 8.85 ± 0.003 Å
• b: 11.175 ± 0.004 Å
• c: 13.294 ± 0.005 Å
• α: 95.356 ± 0.009°
• β: 91.103 ± 0.005°
• γ: 101.179 ± 0.006°
• Cell volume: 1283.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No