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Information card for entry 8000494
Preview
| Coordinates | 8000494.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H32 F16 I2 N4 |
|---|---|
| Calculated formula | C62 H32 F16 I2 N4 |
| Title of publication | Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide. |
| Authors of publication | Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 19 |
| Pages of publication | 4585 - 4592 |
| a | 4.8893 ± 0.001 Å |
| b | 15.372 ± 0.003 Å |
| c | 19.518 ± 0.004 Å |
| α | 67.58 ± 0.03° |
| β | 89.54 ± 0.03° |
| γ | 87.55 ± 0.03° |
| Cell volume | 1354.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000494.cif |
| 265763 | 2021-06-04 | cif/ Updating files of 8000494, 8000495 Original log message: Adding full bibliography for 8000494--8000495.cif. |
8000494.cif |
| 265111 | 2021-05-12 | cif/ Adding structures of 8000494 via cif-deposit CGI script. |
8000494.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.