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Information card for entry 4126097
Preview
Coordinates | 4126097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H18 Br N O |
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Calculated formula | C23 H18 Br N O |
SMILES | c1(c(c2ccccc2n1C)[C@@H](C=O)c1ccc(cc1)Br)c1ccccc1 |
Title of publication | Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates. |
Authors of publication | Panda, Santanu; Ready, Joseph M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 17 |
Pages of publication | 6038 - 6041 |
a | 6.3437 ± 0.0004 Å |
b | 16.5128 ± 0.0014 Å |
c | 9.2201 ± 0.0007 Å |
α | 90° |
β | 109.431 ± 0.004° |
γ | 90° |
Cell volume | 910.82 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0212 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0535 |
Weighted residual factors for all reflections included in the refinement | 0.0538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4126097.html
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