Information card for entry 7013320

Structure parameters

• Formula: C31 H50 N2
• Calculated formula: C31 H50 N2
• SMILES: C[C@@H](C([C@H](C)Nc1c(cccc1C(C)C)C(C)C)(C)C)Nc1c(cccc1C(C)C)C(C)C.C[C@H](C([C@@H](C)Nc1c(cccc1C(C)C)C(C)C)(C)C)Nc1c(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: 16.086 ± 0.002 Å
• b: 11.236 ± 0.002 Å
• c: 16.069 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2904.3 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No