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Information card for entry 4030133
Preview
Coordinates | 4030133.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H28 N6 O2 |
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Calculated formula | C34 H28 N6 O2 |
SMILES | n1c(O)c2C(=O)/C(C(c2c2c1n(nc2C)c1ccccc1)c1ccccc1)=C(Nc1n(nc(c1)C)c1ccccc1)/C |
Title of publication | Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives. |
Authors of publication | Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 22 |
Pages of publication | 11110 - 11118 |
a | 10.1833 ± 0.0008 Å |
b | 11.2946 ± 0.0009 Å |
c | 12.4239 ± 0.0011 Å |
α | 102.068 ± 0.002° |
β | 91.225 ± 0.001° |
γ | 91.272 ± 0.001° |
Cell volume | 1396.5 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1819 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.0936 |
Weighted residual factors for all reflections included in the refinement | 0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4030133.html
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