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Information card for entry 4035557
Preview
Coordinates | 4035557.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H17 Br2 N O2 |
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Calculated formula | C24 H17 Br2 N O2 |
SMILES | Brc1ccc([C@@]23[C@@H]([C@H]4c5ccccc5C(=O)N4c4c2cc(Br)cc4)CCO3)cc1.Brc1ccc([C@]23[C@H]([C@@H]4c5ccccc5C(=O)N4c4c2cc(Br)cc4)CCO3)cc1 |
Title of publication | Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one. |
Authors of publication | Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 15 |
Pages of publication | 8780 - 8785 |
a | 13.498 ± 0.002 Å |
b | 15.224 ± 0.002 Å |
c | 10.0932 ± 0.0015 Å |
α | 90° |
β | 105.787 ± 0.004° |
γ | 90° |
Cell volume | 1995.9 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0888 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1502 |
Weighted residual factors for all reflections included in the refinement | 0.1709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4035557.html
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