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Information card for entry 1553172
Preview
Coordinates | 1553172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H24 Cl3 N3 O4 S2 |
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Calculated formula | C27 H24 Cl3 N3 O4 S2 |
SMILES | S(=O)(=O)(N1C=C(c2[nH]c3ccccc3c2CC1)/C=N/S(=O)(=O)c1ccc(cc1)C)c1ccccc1.ClC(Cl)Cl |
Title of publication | Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C‒H functionalization of indolyltriazoles |
Authors of publication | Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 11 |
Pages of publication | 1516 |
a | 11.3585 ± 0.001 Å |
b | 11.981 ± 0.001 Å |
c | 13.438 ± 0.0012 Å |
α | 106.42 ± 0.002° |
β | 108.985 ± 0.002° |
γ | 104.217 ± 0.002° |
Cell volume | 1539.6 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0669 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1487 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/1553172.html
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Users of the data should acknowledge the original authors of the
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