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Information card for entry 7248783
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Coordinates | 7248783.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H7 N7 O2 |
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Calculated formula | C2 H7 N7 O2 |
Title of publication | Insight into the structural and energetic features of substituted triazolofurazans |
Authors of publication | Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A. |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
a | 19.6742 ± 0.0016 Å |
b | 3.7044 ± 0.0003 Å |
c | 8.671 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 631.95 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0437 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/7248783.html
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Users of the data should acknowledge the original authors of the
structural data.