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Information card for entry 2229622
Preview
Coordinates | 2229622.cif |
---|---|
Structure factors | 2229622.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>R</i>)-2-[1-(2,6-Dichloro-3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]-\ 4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide |
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Formula | C21 H28 Cl2 N3 O6 |
Calculated formula | C21 H28 Cl2 N3 O6 |
SMILES | Clc1c(C(=O)N2[C@@H](C3=N(=O)C(C)(C)C([N]3=O)(C)C)CCC2)c(Cl)c(OC)c(OC)c1OC |
Title of publication | (<i>R</i>)-2-[1-(2,6-Dichloro-3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide |
Authors of publication | Wang, Hai-Bo; Xiang, Zhuo; Jing, Lin-Lin; Tian, Min; Sun, Xiao-Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | o985 - o986 |
a | 10.975 ± 0.002 Å |
b | 12.255 ± 0.003 Å |
c | 17.741 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2386.1 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1218 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229622.html
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Users of the data should acknowledge the original authors of the
structural data.