Information card for entry 7112849

Structure parameters

• Formula: C36 H30 Cl F N2 O3
• Calculated formula: C36 H30 Cl F N2 O3
• SMILES: Clc1ccc([C@@]2(O)c3cc(F)ccc3N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1.O=CN(C)C
• Title of publication: Copper-catalyzed asymmetric addition of arylboronates to isatins: a catalytic cycle involving alkoxocopper intermediates
• Authors of publication: Shintani, Ryo; Takatsu, Keishi; Hayashi, Tamio
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6822 - 6824
• a: 9.339 ± 0.002 Å
• b: 9.339 ± 0.002 Å
• c: 34.336 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2994.7 ± 1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No