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Information card for entry 4029002
Preview
Coordinates | 4029002.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H18 I N3 O2 |
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Calculated formula | C18 H18 I N3 O2 |
SMILES | c1(c(ccc(c1)C(CN(=O)=O)c1c[nH]c2c1cccc2CC)N)I |
Title of publication | FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes. |
Authors of publication | Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 4 |
Pages of publication | 1842 - 1849 |
a | 9.1444 ± 0.0006 Å |
b | 10.7731 ± 0.0006 Å |
c | 10.2668 ± 0.0006 Å |
α | 90° |
β | 115.759 ± 0.003° |
γ | 90° |
Cell volume | 910.91 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0718 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029002.html
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Users of the data should acknowledge the original authors of the
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