Information card for entry 4081969

Structure parameters

• Formula: C28 H37 B N2 O2
• Calculated formula: C28 H37 B N2 O2
• SMILES: [B]12(OC(=O)N1c1c(cccc1C)C)[N](=C(C=C2C(C)(C)C)C(C)(C)C)c1c(cccc1C)C
• 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: 24.4 ± 0.006 Å
• b: 24.4 ± 0.006 Å
• c: 8.7778 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4525.8 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No