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Information card for entry 7063679
Preview
| Coordinates | 7063679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H41 N5 O3 S2 |
|---|---|
| Calculated formula | C33 H41 N5 O3 S2 |
| Title of publication | Diagnosing the role of hydrogen bonding in the organization, aggregation, and optical properties of phthalhydrazide-functionalized molecules in solution and solid state |
| Authors of publication | Pan, Cheng-Yen; Grinalds, Nathan J.; Ghiviriga, Ion; Abboud, Khalil A.; Xue, Jiangeng; Castellano, Ronald K. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| Journal volume | 49 |
| Journal issue | 13 |
| Pages of publication | 5330 - 5345 |
| a | 33.974 ± 0.008 Å |
| b | 5.0398 ± 0.001 Å |
| c | 38.358 ± 0.009 Å |
| α | 90° |
| β | 104.711 ± 0.005° |
| γ | 90° |
| Cell volume | 6352 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299021 (current) | 2025-04-05 | cif/ Updating files of 7063679 Original log message: Adding full bibliography for 7063679.cif. |
7063679.cif |
| 297857 | 2025-02-26 | cif/ Adding structures of 7063679 via cif-deposit CGI script. |
7063679.cif |
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Users of the data should acknowledge the original authors of the
structural data.