Information card for entry 1520068

Structure parameters

• Formula: C32 H36 Br2 N4 O2
• Calculated formula: C32 H36 Br2 N4 O2
• SMILES: Brc1ccc(N[C@@H](c2ccccc2)[C@H](Nc2ccc(Br)cc2)c2ccccc2)cc1.O=CN(C)C.O=CN(C)C
• Title of publication: A Highly Stereoselective Metal-Free Hydrogenation of Diimines for the Synthesis of Cis-Vicinal Diamines.
• Authors of publication: Zhu, Xiaxia; Du, Haifeng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3106 - 3109
• a: 10.037 ± 0.002 Å
• b: 8.2451 ± 0.0018 Å
• c: 18.991 ± 0.005 Å
• α: 90°
• β: 101.279 ± 0.002°
• γ: 90°
• Cell volume: 1541.3 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No