Information card for entry 4132250

Structure parameters

• Formula: C64 H50 I2 N O3 P Si2
• Calculated formula: C64 H50 I2 N O3 P Si2
• SMILES: II.P1(=O)(Oc2c(c3c(cccc3)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc1ccccc21)Nc1c(cccc1C)C
• Title of publication: Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.
• Authors of publication: Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 19
• Pages of publication: 6039 - 6043
• a: 11.5142 ± 0.0017 Å
• b: 13.629 ± 0.002 Å
• c: 33.558 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5266.2 ± 1.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No