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Information card for entry 2203099
Preview
Coordinates | 2203099.cif |
---|---|
Structure factors | 2203099.hkl |
Original IUCr paper | HTML |
Chemical name | 1-Methyl-N-(2-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}ethyl)- 4-nitro-1H-pyrrole-2-carboxamide dimethylformamide disolvate |
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Formula | C20 H30 N8 O8 |
Calculated formula | C20 H30 N8 O8 |
SMILES | Cn1cc(N(=O)=O)cc1C(=O)NCCNC(=O)c1cc(cn1C)N(=O)=O.N(C=O)(C)C.N(C=O)(C)C |
Title of publication | 1-Methyl-<i>N</i>-(2-{[(1-methyl-4-nitro-1<i>H</i>-pyrrol-2-yl)carbonyl]amino}ethyl)-4-nitro-1<i>H</i>-pyrrole-2-carboxamide dimethylformamide disolvate |
Authors of publication | Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 1 |
Pages of publication | o35 - o36 |
a | 6.898 ± 0.004 Å |
b | 8.904 ± 0.006 Å |
c | 11.139 ± 0.007 Å |
α | 76.577 ± 0.008° |
β | 89.075 ± 0.008° |
γ | 71.959 ± 0.007° |
Cell volume | 631.6 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.118 |
Residual factor for significantly intense reflections | 0.097 |
Weighted residual factors for significantly intense reflections | 0.212 |
Weighted residual factors for all reflections included in the refinement | 0.222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
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/2203099.html
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Users of the data should acknowledge the original authors of the
structural data.