Information card for entry 4129665

Structure parameters

• Formula: C70 H58 Cl F6 N4 O4 P
• Calculated formula: C70 H58 Cl F6 N4 O4 P
• SMILES: c12c(c3ccccc3cc1c1ccc(C(F)(F)F)cc1c1ccccc1)c1c(c(cc3c1cccc3)c1ccc(C(F)(F)F)cc1c1ccccc1)N[P+]1(N2)Nc2c(c3ccccc3cc2)c2c(ccc3c2cccc3)N1.CO.CO.CO.CO.[Cl-]
• Title of publication: Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.
• Authors of publication: Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 43
• Pages of publication: 13768 - 13771
• a: 14.034 ± 0.002 Å
• b: 9.8516 ± 0.0014 Å
• c: 21.688 ± 0.003 Å
• α: 90°
• β: 90.641 ± 0.003°
• γ: 90°
• Cell volume: 2998.3 ± 0.7 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No