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Information card for entry 1503638
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1503638.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H40 Br2 N6 O6 |
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Calculated formula | C42 H40 Br2 N6 O6 |
Title of publication | Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction. |
Authors of publication | Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng |
Journal of publication | Journal of combinatorial chemistry |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 2 |
Pages of publication | 310 - 314 |
a | 7.147 ± 0.001 Å |
b | 12.501 ± 0.0014 Å |
c | 13.094 ± 0.0016 Å |
α | 118.506 ± 0.002° |
β | 99.047 ± 0.001° |
γ | 93.074 ± 0.001° |
Cell volume | 1004 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1175 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1545 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503638.html
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