Information card for entry 8107173
Formula |
C12 H17 N9 O8 |
Calculated formula |
C12 H17 N9 O8 |
Title of publication |
Crystal structure of the cocrystal 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ─ 2,3-dihydroindole (1/1), C12H17N9O8 |
Authors of publication |
Liu, Penghua; Xing, Jiangtao; Wang, Zhiqiang; Wang, Baomin |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2022 |
Journal volume |
237 |
Journal issue |
4 |
Pages of publication |
631 - 633 |
a |
11.376 ± 0.004 Å |
b |
7.966 ± 0.002 Å |
c |
19.076 ± 0.006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1728.7 ± 0.9 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296.15 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 all reflections |
0.042 |
Residual factor for significantly intense reflections |
0.0373 |
Weighted residual factors for significantly intense reflections |
0.0879 |
Weighted residual factors for all reflections included in the refinement |
0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/8107173.html