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Information card for entry 7129854
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Coordinates | 7129854.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H11 N11 O5 S |
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Calculated formula | C7 H11 N11 O5 S |
Title of publication | Accelerated discovery of thermostable high-energy materials with intramolecular donor-acceptor building blocks. |
Authors of publication | Ma, Qing; Cheng, Zhen; Yang, Lei; Du, Wei; Yin, Yilin; Ma, Wenqiang; Fan, Guijuan; Li, Jinshan |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2022 |
Journal volume | 58 |
Journal issue | 28 |
Pages of publication | 4460 - 4463 |
a | 5.53 ± 0.0008 Å |
b | 17.308 ± 0.003 Å |
c | 29.896 ± 0.004 Å |
α | 85.857 ± 0.006° |
β | 86.344 ± 0.004° |
γ | 88.325 ± 0.005° |
Cell volume | 2847.3 ± 0.7 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1831 |
Residual factor for significantly intense reflections | 0.0864 |
Weighted residual factors for significantly intense reflections | 0.1894 |
Weighted residual factors for all reflections included in the refinement | 0.2458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/7129854.html
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Users of the data should acknowledge the original authors of the
structural data.