Information card for entry 7152266

Structure parameters

• Formula: C55 H43 Cl2 N2 O2 P S
• Calculated formula: C55 H43 Cl2 N2 O2 P S
• SMILES: P(c1c(c2c(C3=N[C@H]([C@@H](N3S(=O)(=O)c3ccc(cc3)C)c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2cc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 13.5209 ± 0.0009 Å
• b: 16.5318 ± 0.0012 Å
• c: 41.077 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9181.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No