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Information card for entry 7131401
Preview
Coordinates | 7131401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H6 N8 O6 |
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Calculated formula | C5 H6 N8 O6 |
Title of publication | High-performing, insensitive and thermally stable energetic materials from zwitterionic <i>gem</i>-dinitromethyl substituted C-C bonded 1,2,4-triazole and 1,3,4-oxadiazole. |
Authors of publication | Yadav, Abhishek Kumar; Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 29 |
Pages of publication | 4324 - 4327 |
a | 14.4122 ± 0.0014 Å |
b | 12.1358 ± 0.0012 Å |
c | 5.6687 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 991.48 ± 0.17 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0843 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7131401.html
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