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Information card for entry 4033590
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4033590.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H25 Cl N2 O6 S |
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Calculated formula | C28 H25 Cl N2 O6 S |
SMILES | Clc1ccc(S(=O)(=O)/N=C2/N(c3ccccc3C2(OOC(C)(C)C)C2C(=O)c3c(OC=2)cccc3)C)cc1 |
Title of publication | Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles. |
Authors of publication | Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 10 |
Pages of publication | 6395 - 6404 |
a | 11.096 ± 0.003 Å |
b | 11.577 ± 0.004 Å |
c | 12.028 ± 0.003 Å |
α | 62.158 ± 0.01° |
β | 89.182 ± 0.009° |
γ | 72.717 ± 0.014° |
Cell volume | 1290.3 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 295.82 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0746 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.1659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4033590.html
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Users of the data should acknowledge the original authors of the
structural data.