Information card for entry 2014216
Chemical name |
4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)] |
Formula |
C13 H12 Cl4 N5 O P3 |
Calculated formula |
C13 H12 Cl4 N5 O P3 |
SMILES |
ClP1(Cl)=NP(Cl)(Cl)=NP2(Oc3c(CN2c2nc(C)ccc2)cccc3)=N1 |
Title of publication |
4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)] |
Authors of publication |
Tercan, Barış; Hökelek, Tuncer; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
9 |
Pages of publication |
o639 - o641 |
a |
8.9834 ± 0.0001 Å |
b |
9.511 ± 0.0002 Å |
c |
11.9857 ± 0.0002 Å |
α |
82.131 ± 0.002° |
β |
87.598 ± 0.001° |
γ |
81.992 ± 0.002° |
Cell volume |
1004.26 ± 0.03 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
6 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0787 |
Residual factor for significantly intense reflections |
0.0631 |
Weighted residual factors for significantly intense reflections |
0.152 |
Weighted residual factors for all reflections included in the refinement |
0.1659 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.017 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2014216.html