Information card for entry 4310844

Structure parameters

• Formula: C18 H23 B Cl N
• Calculated formula: C18 H23 B Cl N
• SMILES: ClB(Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
• Title of publication: Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups
• Authors of publication: T. Chivers; C. Fedorchuk; M. Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2643 - 2653
• a: 11.7907 ± 0.0005 Å
• b: 13.1664 ± 0.0005 Å
• c: 11.9232 ± 0.0006 Å
• α: 90°
• β: 113.866 ± 0.002°
• γ: 90°
• Cell volume: 1692.7 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No