Information card for entry 7118230

Structure parameters

• Formula: C26 H18 Br Cl4 N2 O4
• Calculated formula: C26 H18 Br Cl4 N2 O4
• SMILES: C(Cl)(Cl)Cl.Brc1cc(ccc1OC)[C@@]1(c2cc(Cl)ccc2NC1=O)[C@H](CN(=O)=O)C#Cc1ccccc1
• Title of publication: Sequential Au(i)/chiral tertiary amine catalysis: a tandem C-H functionalization of anisoles or a thiophene/asymmetric Michael addition sequence to quaternary oxindoles.
• Authors of publication: Cao, Zhong-Yan; Zhao, Yu-Lei; Zhou, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2537 - 2540
• a: 13.0622 ± 0.0004 Å
• b: 8.2259 ± 0.0002 Å
• c: 13.1485 ± 0.0004 Å
• α: 90°
• β: 106.33 ± 0.001°
• γ: 90°
• Cell volume: 1355.79 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0305
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No