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Information card for entry 7246131
Preview
Coordinates | 7246131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H34 N12 O7 |
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Calculated formula | C22 H34 N12 O7 |
Title of publication | Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core |
Authors of publication | Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 6 |
Pages of publication | 1018 - 1028 |
a | 11.8893 ± 0.0001 Å |
b | 18.4452 ± 0.0002 Å |
c | 12.5023 ± 0.0001 Å |
α | 90° |
β | 93.4284 ± 0.0004° |
γ | 90° |
Cell volume | 2736.85 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7246131.html
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