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Information card for entry 4029003
Preview
Coordinates | 4029003.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H21 N3 O2 |
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Calculated formula | C26 H21 N3 O2 |
SMILES | C(C(c1ccc2c(c1)c(cc(c1ccccc1)n2)C)c1c2c(cccc2)[nH]c1)N(=O)=O |
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 | 12.3676 ± 0.0017 Å |
b | 10.7025 ± 0.0016 Å |
c | 16.056 ± 0.003 Å |
α | 90° |
β | 99.159 ± 0.007° |
γ | 90° |
Cell volume | 2098.1 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1401 |
Residual factor for significantly intense reflections | 0.0698 |
Weighted residual factors for significantly intense reflections | 0.1503 |
Weighted residual factors for all reflections included in the refinement | 0.1783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/4029003.html
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