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Information card for entry 8000548
Preview
| Coordinates | 8000548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H10 F3 I3 N |
|---|---|
| Calculated formula | C20 H10 F3 I3 N |
| Title of publication | Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs. |
| Authors of publication | Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 38 |
| Pages of publication | 9233 - 9238 |
| a | 5.0705 ± 0.0007 Å |
| b | 37.539 ± 0.005 Å |
| c | 10.7938 ± 0.0016 Å |
| α | 90° |
| β | 92.192 ± 0.005° |
| γ | 90° |
| Cell volume | 2053 ± 0.5 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269534 (current) | 2021-10-04 | cif/ Adding structures of 8000548 via cif-deposit CGI script. |
8000548.cif |
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Users of the data should acknowledge the original authors of the
structural data.