Information card for entry 4117320

Structure parameters

• Formula: C19 H20 I N O
• Calculated formula: C19 H20 I N O
• SMILES: Ic1c(N(Cc2ccccc2)C(=O)/C=C/C)c(cc(c1)C)C
• Title of publication: Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations
• Authors of publication: Seiji Shirakawa; Kun Liu; Keiji Maruoka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 916 - 919
• a: 6.9538 ± 0.0002 Å
• b: 14.2273 ± 0.0004 Å
• c: 35.8922 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3550.95 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No