Information card for entry 4132252

Structure parameters

• Formula: C64 H50 N O3 P Si2
• Calculated formula: C64 H50 N O3 P Si2
• SMILES: P1(=O)(Oc2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc3c2c2c3c(cccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2O1)Nc1c(C)cccc1C
• 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: 10.815 ± 0.002 Å
• b: 9.2369 ± 0.0016 Å
• c: 25.431 ± 0.005 Å
• α: 90°
• β: 101.749 ± 0.003°
• γ: 90°
• Cell volume: 2487.3 ± 0.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0363
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No