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Information card for entry 7150735
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7150735.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H14 N4 |
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Calculated formula | C12 H14 N4 |
SMILES | n1(cccc1)/C=C/C=C\c1ncn(n1)CC |
Title of publication | Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis |
Authors of publication | Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 20 |
Pages of publication | 4241 - 4247 |
a | 13.5774 ± 0.0004 Å |
b | 7.9769 ± 0.0002 Å |
c | 22.4305 ± 0.0006 Å |
α | 90° |
β | 106.67 ± 0.003° |
γ | 90° |
Cell volume | 2327.25 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1229 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7150735.html
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structural data.