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Information card for entry 4029841
Preview
Coordinates | 4029841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H13 N5 O2 |
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Calculated formula | C19 H13 N5 O2 |
SMILES | C1(=O)[C@@H]([C@H](C(=O)N1C)c1c(cc(c(c1)C#N)C#N)C#N)c1cccn1C.C1(=O)[C@H]([C@@H](C(=O)N1C)c1c(cc(c(c1)C#N)C#N)C#N)c1cccn1C |
Title of publication | A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles. |
Authors of publication | Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 16 |
Pages of publication | 7572 - 7582 |
a | 22.6533 ± 0.0016 Å |
b | 22.6533 ± 0.0016 Å |
c | 7.243 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3716.9 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 114 |
Hermann-Mauguin space group symbol | P -4 21 c |
Hall space group symbol | P -4 2n |
Residual factor for all reflections | 0.1175 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1608 |
Weighted residual factors for all reflections included in the refinement | 0.1793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4029841.html
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Users of the data should acknowledge the original authors of the
structural data.