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Information card for entry 4034688
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Coordinates | 4034688.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Y2 |
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Formula | C19 H12 F3 N O3 |
Calculated formula | C19 H12 F3 N O3 |
SMILES | O(C(=O)C1c2c(c3c4n(C1=O)ccc4ccc3)ccc(c2)C(F)(F)F)C |
Title of publication | Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot. |
Authors of publication | Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
a | 18.544 ± 0.0004 Å |
b | 11.7459 ± 0.0004 Å |
c | 14.8965 ± 0.0004 Å |
α | 90° |
β | 93.306 ± 0.002° |
γ | 90° |
Cell volume | 3239.3 ± 0.16 Å3 |
Cell temperature | 294.8 ± 0.4 K |
Ambient diffraction temperature | 294.8 ± 0.4 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1482 |
Weighted residual factors for all reflections included in the refinement | 0.1588 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4034688.html
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