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Information card for entry 4031342
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Coordinates | 4031342.cif |
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Original paper (by DOI) | HTML |
Common name | PhBTP |
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Chemical name | 2,6-bis(6-phenyl-1,2,4-triazin-3-yl)pyridine |
Formula | C23 H15 N7 |
Calculated formula | C23 H15 N7 |
SMILES | c1cc(c2ncc(c3ccccc3)nn2)nc(c1)c1ncc(c2ccccc2)nn1 |
Title of publication | Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines. |
Authors of publication | Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 17 |
Pages of publication | 8684 - 8693 |
a | 15.3429 ± 0.0008 Å |
b | 6.5112 ± 0.0004 Å |
c | 18.447 ± 0.0009 Å |
α | 90° |
β | 104.72 ± 0.005° |
γ | 90° |
Cell volume | 1782.38 ± 0.17 Å3 |
Cell temperature | 150.02 ± 0.1 K |
Ambient diffraction temperature | 150.02 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0571 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.1225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation probe | x-ray |
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/4031342.html
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