Information card for entry 4345077

Structure parameters

• Formula: C25 H42 B2 N2 O4
• Calculated formula: C25 H42 B2 N2 O4
• SMILES: [B](=C1N(C(CO1)(C)C)C)(=C1N(C(CO1)(C)C)C)(c1ccccc1)C(=O)O[B](CC)(CC)CC
• Title of publication: Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).
• Authors of publication: Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5586 - 5593
• a: 11.2821 ± 0.0005 Å
• b: 16.7271 ± 0.0007 Å
• c: 13.9443 ± 0.0006 Å
• α: 90°
• β: 97.075 ± 0.002°
• γ: 90°
• Cell volume: 2611.5 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No