Information card for entry 7013318

Structure parameters

• Formula: C31 H49 B N2
• Calculated formula: C31 H49 B N2
• SMILES: B1N([C@@H](C)C([C@@H](N1c1c(cccc1C(C)C)C(C)C)C)(C)C)c1c(cccc1C(C)C)C(C)C.B1N([C@H](C)C([C@H](N1c1c(cccc1C(C)C)C(C)C)C)(C)C)c1c(cccc1C(C)C)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: 8.539 ± 0.008 Å
• b: 9.459 ± 0.007 Å
• c: 19.457 ± 0.007 Å
• α: 102.29 ± 0.05°
• β: 94.25 ± 0.05°
• γ: 112.19 ± 0.07°
• Cell volume: 1401 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1298
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No