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Information card for entry 7122266
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Coordinates | 7122266.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 N15 O12 |
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Calculated formula | C13 H15 N15 O12 |
Title of publication | A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance. |
Authors of publication | Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 75 |
Pages of publication | 10566 - 10569 |
a | 8.8353 ± 0.0002 Å |
b | 18.9345 ± 0.0004 Å |
c | 13.781 ± 0.0003 Å |
α | 90° |
β | 90.062 ± 0.001° |
γ | 90° |
Cell volume | 2305.45 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0923 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7122266.html
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Users of the data should acknowledge the original authors of the
structural data.