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Information card for entry 7122631
Preview
Coordinates | 7122631.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 N2 O3 |
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Calculated formula | C30 H30 N2 O3 |
Title of publication | Carbon-nitrogen bond cleavage of pyridine with two molecular substituted allenoates: access to 2-arylpyrimidin-4(3H)-one. |
Authors of publication | Jin, Tao; Yuan, Hongdong; Su, Shikuan; Jia, Xueshun; Li, Chunju; Li, Jian; Fang, Jianhui |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 100 |
Pages of publication | 14128 - 14131 |
a | 8.186 ± 0.006 Å |
b | 11.746 ± 0.009 Å |
c | 14.341 ± 0.011 Å |
α | 105.73 ± 0.009° |
β | 96.421 ± 0.009° |
γ | 101.473 ± 0.009° |
Cell volume | 1280.5 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0623 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7122631.html
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Users of the data should acknowledge the original authors of the
structural data.