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Information card for entry 1512298
Preview
Coordinates | 1512298.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H6 F8 N6 O6 |
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Calculated formula | C20 H6 F8 N6 O6 |
SMILES | COc1nc2nc(n1)oc1c(F)c(F)c(c(c1oc1nc(oc3c(o2)c(F)c(F)c(c3F)F)nc(n1)OC)F)F |
Title of publication | Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines. |
Authors of publication | Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 17 |
Pages of publication | 4414 - 4417 |
a | 8.3306 ± 0.0017 Å |
b | 13.589 ± 0.003 Å |
c | 19.417 ± 0.004 Å |
α | 92.7 ± 0.03° |
β | 94.67 ± 0.03° |
γ | 97.19 ± 0.03° |
Cell volume | 2169.9 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0536 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0942 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1512298.html
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Users of the data should acknowledge the original authors of the
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