Information card for entry 7013319

Structure parameters

• Formula: C25 H37 B N2
• Calculated formula: C25 H37 B N2
• SMILES: N1(BN([C@@H](C)C([C@@H]1C)(C)C)c1c(cccc1)C(C)C)c1c(cccc1)C(C)C.N1(BN([C@H](C)C([C@H]1C)(C)C)c1c(cccc1)C(C)C)c1c(cccc1)C(C)C
• Title of publication: Borane and alane reductions of bulky N,N?-diaryl-1,3-diimines: structural characterization of products and intermediates in the diastereoselective synthesis of 1,3-diaminesElectronic supplementary information (ESI) available: preparative and characterization details; substructure of 5. See http://www.rsc.org/suppdata/dt/b3/b306401h/
• Authors of publication: Carey, David T.; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3792
• a: 11.0205 ± 0.0002 Å
• b: 12.6758 ± 0.0002 Å
• c: 17.0392 ± 0.0003 Å
• α: 77.697 ± 0.001°
• β: 84.224 ± 0.001°
• γ: 89.699 ± 0.001°
• Cell volume: 2313.48 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1945
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No