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Information card for entry 7118230
Preview
Coordinates | 7118230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H18 Br Cl4 N2 O4 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7118230.html
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