Information card for entry 4081968

Structure parameters

• Formula: C41 H57 B N4
• Calculated formula: C41 H57 B N4
• SMILES: [B]1(=N\c2c(cccc2C)C)\N(C(=C[C@]1(C(C)(C)C)c1n(c(C)c([n+]1C)C)C)C(C)(C)C)c1c(cccc1C)C.Cc1ccccc1
• Title of publication: Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups
• Authors of publication: Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6875
• a: 10.379 ± 0.006 Å
• b: 17.822 ± 0.009 Å
• c: 19.778 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No