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Information card for entry 1514324
Preview
Coordinates | 1514324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H9 N5 O2 |
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Calculated formula | C6 H9 N5 O2 |
SMILES | n1(c[n+](cc1)C)C.N#CN=N([O-])=O |
Title of publication | Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure |
Authors of publication | McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D. |
Journal of publication | Energy & Fuels |
Year of publication | 2014 |
Journal volume | 28 |
Journal issue | 5 |
Pages of publication | 3460 |
a | 7.268 ± 0.0005 Å |
b | 7.3848 ± 0.0005 Å |
c | 9.2509 ± 0.0006 Å |
α | 88.28 ± 0.004° |
β | 74.55 ± 0.004° |
γ | 64.429 ± 0.004° |
Cell volume | 429.64 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0714 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/1514324.html
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Users of the data should acknowledge the original authors of the
structural data.