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Information card for entry 7219034
Preview
Coordinates | 7219034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H36 Cl2 N2 O8 |
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Calculated formula | C41 H36 Cl2 N2 O8 |
SMILES | c1ccccc1CN1c2ccc(cc2[C@]2(C1=O)[C@@H](C(=O)OCC)C([C@@H]([C@@]12c2c(ccc(c2)Cl)N(Cc2ccccc2)C1=O)C(=O)OCC)C(=O)OC)Cl.c1ccccc1CN1c2ccc(cc2[C@@]2(C1=O)[C@H](C(=O)OCC)C([C@H]([C@]12c2c(ccc(c2)Cl)N(Cc2ccccc2)C1=O)C(=O)OCC)C(=O)OC)Cl |
Title of publication | Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates† |
Authors of publication | Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 10.8295 ± 0.0016 Å |
b | 12.8333 ± 0.0019 Å |
c | 15.121 ± 0.002 Å |
α | 85.481 ± 0.002° |
β | 76.954 ± 0.002° |
γ | 75.004 ± 0.002° |
Cell volume | 1977.1 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1257 |
Residual factor for significantly intense reflections | 0.1064 |
Weighted residual factors for significantly intense reflections | 0.289 |
Weighted residual factors for all reflections included in the refinement | 0.3093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
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/7219034.html
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Users of the data should acknowledge the original authors of the
structural data.