Information card for entry 7152267

Structure parameters

• Formula: C22 H16 Br2 F2 N2 O2
• Calculated formula: C22 H16 Br2 F2 N2 O2
• SMILES: Brc1ccc([C@H](NNC(=O)c2ccc(Br)cc2)C(F)(F)C(=O)c2ccccc2)cc1
• Title of publication: Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.
• Authors of publication: Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2509 - 2513
• a: 12.249 ± 0.004 Å
• b: 5.5446 ± 0.0019 Å
• c: 16.208 ± 0.006 Å
• α: 90°
• β: 104.895 ± 0.004°
• γ: 90°
• Cell volume: 1063.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No