Information card for entry 7159328
Common name |
benzo[c]tetrazolo[2,3-a]cinnoline-2-thione |
Chemical name |
benzo[c]tetrazolo[2,3-a]cinnolinium-2-thiolate |
Formula |
C13 H8 N4 S |
Calculated formula |
C13 H8 N4 S |
Title of publication |
Synthesis of stable class 5 mesoionic benzo[<i>c</i>]tetrazolo[2,3-<i>a</i>]cinnolinium thiolate, dicyanomethylide, and amides. |
Authors of publication |
Nakata, Mirai; Hirashita, Tsunehisa; Konishi, Yoshikazu; Araki, Shuki |
Journal of publication |
Organic & biomolecular chemistry |
Year of publication |
2023 |
Journal volume |
21 |
Journal issue |
20 |
Pages of publication |
4282 - 4289 |
a |
9.3963 ± 0.0007 Å |
b |
9.7124 ± 0.0009 Å |
c |
12.0714 ± 0.001 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1101.64 ± 0.16 Å3 |
Cell temperature |
173 K |
Ambient diffraction temperature |
173 K |
Number of distinct elements |
4 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for significantly intense reflections |
0.0374 |
Weighted residual factors for all reflections included in the refinement |
0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.887 |
Diffraction radiation wavelength |
0.71075 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7159328.html