Information card for entry 7013321

Structure parameters

• Formula: C25 H38 N2
• Calculated formula: C25 H38 N2
• SMILES: C[C@H](C([C@@H](C)Nc1c(cccc1)C(C)C)(C)C)Nc1c(cccc1)C(C)C.C[C@@H](C([C@H](C)Nc1c(cccc1)C(C)C)(C)C)Nc1c(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: 13.111 ± 0.002 Å
• b: 11.65 ± 0.003 Å
• c: 15.729 ± 0.003 Å
• α: 90°
• β: 109.31 ± 0.03°
• γ: 90°
• Cell volume: 2267.3 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• 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: 0.1935
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.2531
• Weighted residual factors for all reflections included in the refinement: 0.3275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No