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Information card for entry 4037200
Preview
Coordinates | 4037200.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H26 Br N O3 |
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Calculated formula | C24 H26 Br N O3 |
SMILES | Brc1ccc(cc1)[C@@H]([C@]1(c2ccccc2N(C1=O)C)C)C(=C)C(=O)OC(C)(C)C |
Title of publication | Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates. |
Authors of publication | Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 18 |
Pages of publication | 8537 - 8543 |
a | 8.7384 ± 0.0005 Å |
b | 12.1279 ± 0.0007 Å |
c | 20.746 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2198.6 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0678 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4037200.html
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