Information card for entry 4132253

Structure parameters

• Formula: C74 H64 N O3 P Si2
• Calculated formula: C74 H64 N O3 P Si2
• SMILES: P1(=O)(Oc2c(c3c4c(cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c3O1)cccc4)c1c(cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1)Nc1c(C)cc(cc1C)C(C)(C)C.c1ccccc1
• 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: 9.079 ± 0.003 Å
• b: 12.14 ± 0.005 Å
• c: 14.018 ± 0.005 Å
• α: 78.003 ± 0.016°
• β: 77.069 ± 0.015°
• γ: 81.756 ± 0.018°
• Cell volume: 1465.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No