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Information card for entry 4122327
Preview
Coordinates | 4122327.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H40 Cl10 N4 O |
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Calculated formula | C46 H40 Cl10 N4 O |
SMILES | N(C(=O)c1ccccc1)C(c1ccccc1)(c1ccccc1)[C@@H](n1n[n+](c(c1)c1ccccc1)Cc1ccccc1)Cc1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[Cl-] |
Title of publication | Correction to "chiral 1,2,3-triazoliums as new cationic organic catalysts with anion-recognition ability: application to asymmetric alkylation of oxindoles". |
Authors of publication | Ohmatsu, Kohsuke; Kiyokawa, Mari; Ooi, Takashi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 31 |
Pages of publication | 11195 |
a | 12.281 ± 0.003 Å |
b | 13.661 ± 0.003 Å |
c | 14.407 ± 0.003 Å |
α | 90° |
β | 92.245 ± 0.004° |
γ | 90° |
Cell volume | 2415.2 ± 0.9 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4122327.html
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