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Information card for entry 4036943
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Coordinates | 4036943.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H7 Li N4 O2 |
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Calculated formula | C14 H7 Li N4 O2 |
Title of publication | Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides. |
Authors of publication | Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6402 - 6408 |
a | 8.7665 ± 0.0003 Å |
b | 9.4171 ± 0.0003 Å |
c | 9.929 ± 0.0003 Å |
α | 63.474 ± 0.003° |
β | 76.105 ± 0.003° |
γ | 67.301 ± 0.003° |
Cell volume | 674.31 ± 0.04 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 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 | 0.0964 |
Residual factor for significantly intense reflections | 0.0783 |
Weighted residual factors for significantly intense reflections | 0.2068 |
Weighted residual factors for all reflections included in the refinement | 0.2223 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036943.html
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