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Information card for entry 7239647
Preview
| Coordinates | 7239647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 N3 O2 |
|---|---|
| Calculated formula | C14 H19 N3 O2 |
| Title of publication | Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding |
| Authors of publication | Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 4 |
| Pages of publication | 628 - 633 |
| a | 7.4907 ± 0.0006 Å |
| b | 9.7684 ± 0.0008 Å |
| c | 10.3754 ± 0.001 Å |
| α | 88.424 ± 0.003° |
| β | 75.466 ± 0.003° |
| γ | 86.31 ± 0.003° |
| Cell volume | 733.32 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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