Information card for entry 2207530

Structure parameters

• Common name: 1014mw KA-36-A
• Chemical name: 2-[1-(Benzylphenylphosphinothioyl)-2-phenylethyl]-2'-[(E)-2-chlorovinyl]- 1,1'-binaphthyl
• Formula: C43 H34 Cl P S
• Calculated formula: C43 H34 Cl P S
• SMILES: P(=S)(C(c1c(c2c(cc1)cccc2)c1c(ccc2ccccc12)/C=C/Cl)Cc1ccccc1)(c1ccccc1)Cc1ccccc1
• Title of publication: 2-[1-(Benzylphenylphosphinothioyl)-2-phenylethyl]-2'-[(<i>E</i>)-2-chlorovinyl]-1,1'-binaphthyl
• Authors of publication: Peter Kasák; Widhalm, Michael; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4093 - o4095
• a: 10.6924 ± 0.0004 Å
• b: 19.6175 ± 0.0007 Å
• c: 16.5993 ± 0.0006 Å
• α: 90°
• β: 93.773 ± 0.001°
• γ: 90°
• Cell volume: 3474.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes