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Information card for entry 7248920
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Coordinates | 7248920.cif |
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Original paper (by DOI) | HTML |
Common name | (E)-3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-7-(diethylamino)-2H-chromen-2-one |
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Chemical name | Compound 11 |
Formula | C16 H17 N5 O2 |
Calculated formula | C16 H17 N5 O2 |
Title of publication | Heterocycles as supramolecular handles for crystal engineering: a case study with 7-(diethylamino)coumarin derivatives |
Authors of publication | Castro, Geraldyne; Romero-Ávila, Margarita; Farfán, Norberto; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio |
Journal of publication | RSC Advances |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 29 |
Pages of publication | 20824 - 20836 |
a | 14.3674 ± 0.001 Å |
b | 10.3669 ± 0.0007 Å |
c | 10.6054 ± 0.0006 Å |
α | 90° |
β | 103.165 ± 0.007° |
γ | 90° |
Cell volume | 1538.11 ± 0.18 Å3 |
Cell temperature | 121.6 ± 0.5 K |
Ambient diffraction temperature | 121.6 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0953 |
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/7248920.html
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Users of the data should acknowledge the original authors of the
structural data.