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Information card for entry 7239224
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| Coordinates | 7239224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | coanp |
|---|---|
| Chemical name | 2-(Cyclo-octylamino)-5-nitropyridine |
| Formula | C13 H19 N3 O2 |
| Calculated formula | C13 H19 N3 O2 |
| Title of publication | Molecular recognition at growing crystal faces revealed by phase sensitive second harmonic microscopy |
| Authors of publication | Aboulfadl, Hanane; Bonin, Michel; Burgner, Matthias; Brahimi, Khadidja; Hulliger, Jürg |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 47 |
| Pages of publication | 25145 |
| a | 26.01 ± 0.005 Å |
| b | 6.636 ± 0.0013 Å |
| c | 7.5136 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1296.9 ± 0.4 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239224.cif |
| 244607 | 2019-11-28 | cif/ Adding structures of 7239224 via cif-deposit CGI script. |
7239224.cif |
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Users of the data should acknowledge the original authors of the
structural data.