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Information card for entry 1555097
Preview
Coordinates | 1555097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H9.33 Cl0.67 N2 |
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Calculated formula | C12 H9.33333 Cl0.666667 N2 |
Title of publication | Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles |
Authors of publication | Surendra Reddy, G.; Ramachary, Dhevalapally B. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 21 |
Pages of publication | 3620 |
a | 14.445 ± 0.0009 Å |
b | 6.6377 ± 0.0003 Å |
c | 15.6545 ± 0.0006 Å |
α | 90° |
β | 94.414 ± 0.005° |
γ | 90° |
Cell volume | 1496.53 ± 0.13 Å3 |
Cell temperature | 297.4 ± 0.6 K |
Ambient diffraction temperature | 297.4 ± 0.6 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1144 |
Residual factor for significantly intense reflections | 0.0775 |
Weighted residual factors for significantly intense reflections | 0.2213 |
Weighted residual factors for all reflections included in the refinement | 0.2595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
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/1555097.html
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Users of the data should acknowledge the original authors of the
structural data.