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Information card for entry 4035419
Preview
Coordinates | 4035419.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H19 N3 O2 S |
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Calculated formula | C26 H19 N3 O2 S |
SMILES | S(=O)(=O)(n1c2cc(c(c(N)c2c2c1cccc2)C#N)c1ccccc1)c1ccc(cc1)C |
Title of publication | [4 + 2] Annulation of 3-Nitroindoles with Alkylidene Malononitriles: Entry to Substituted Carbazol-4-amine Derivatives. |
Authors of publication | Cao, Dongdong; Ying, Anguo; Mo, Hanjie; Chen, Dingben; Chen, Gang; Wang, Zhiming; Yang, Jianguo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 20 |
Pages of publication | 12568 - 12574 |
a | 6.0513 ± 0.0001 Å |
b | 22.4128 ± 0.0005 Å |
c | 15.8276 ± 0.0003 Å |
α | 90° |
β | 98.739 ± 0.002° |
γ | 90° |
Cell volume | 2121.72 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0477 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1157 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4035419.html
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