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Information card for entry 7153935
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7153935.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H31 Cl I N O6 S |
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Calculated formula | C34 H31 Cl I N O6 S |
SMILES | IC1=C(c2n(S(=O)(=O)c3ccc(cc3)C)c3ccccc3c2C(c2cc(Cl)ccc12)C(C(=O)OCC)C(=O)OCC)C1CC1 |
Title of publication | Facile synthesis of 5H-benzo[b]carbazol-6-yl ketones via sequential reaction of Cu-catalyzed Friedel-Crafts alkylation, iodine-promoted cyclization, nucleophilic substitution and aromatization. |
Authors of publication | Wu, Jing; Wang, Dongping; Wang, Haolong; Wu, Fan; Li, Xincheng; Wan, Boshun |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 35 |
Pages of publication | 6806 - 6811 |
a | 8.38 ± 0.003 Å |
b | 9.942 ± 0.004 Å |
c | 19.911 ± 0.007 Å |
α | 87.992 ± 0.007° |
β | 88.509 ± 0.007° |
γ | 72.843 ± 0.007° |
Cell volume | 1583.9 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0893 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1329 |
Weighted residual factors for all reflections included in the refinement | 0.1837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/7153935.html
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