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Information card for entry 7119838
Preview
Coordinates | 7119838.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H26 Br N O5 S |
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Calculated formula | C28 H26 Br N O5 S |
SMILES | Brc1ccc(cc1)C(=O)/C=C/c1ccccc1N(S(=O)(=O)c1ccc(cc1)C)CC(=C)C(=O)OCC |
Title of publication | A phosphine mediated sequential annulation process of 2-tosylaminochalcones with MBH carbonates to construct functionalized aza-benzobicyclo[4.3.0] derivatives. |
Authors of publication | Zhang, Qinglong; Zhu, Yannan; Jin, Hongxing; Huang, You |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 28 |
Pages of publication | 3974 |
a | 8.1874 ± 0.0004 Å |
b | 22.8006 ± 0.0008 Å |
c | 13.6393 ± 0.0006 Å |
α | 90° |
β | 91.001 ± 0.002° |
γ | 90° |
Cell volume | 2545.76 ± 0.19 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0788 |
Weighted residual factors for all reflections included in the refinement | 0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/7119838.html
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