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Information card for entry 7233370
Preview
| Coordinates | 7233370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H49 Cl N4 O3 |
|---|---|
| Calculated formula | C33 H49 Cl N4 O3 |
| Title of publication | Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases |
| Authors of publication | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2019 |
| a | 24.8659 ± 0.0006 Å |
| b | 15.3224 ± 0.0004 Å |
| c | 20.1555 ± 0.0008 Å |
| α | 90° |
| β | 119.374 ± 0.001° |
| γ | 90° |
| Cell volume | 6692.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0951 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7233370.cif |
| 217508 | 2019-08-13 | cif/ Adding structures of 7233369, 7233370, 7233371, 7233372, 7233373, 7233374 via cif-deposit CGI script. |
7233370.cif |
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Users of the data should acknowledge the original authors of the
structural data.