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Information card for entry 1574257
Preview
| Coordinates | 1574257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 F3 N3 O2 |
|---|---|
| Calculated formula | C12 H10 F3 N3 O2 |
| Title of publication | Decimeter-Length Elastic Organic Crystals Capable of Mechanical Post-Processing and Optical Waveguide Modulating at 77 K |
| Authors of publication | Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.4921 ± 0.0004 Å |
| b | 17.9826 ± 0.0006 Å |
| c | 5.1708 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1254.56 ± 0.06 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298625 (current) | 2025-03-28 | cif/ Adding structures of 1574257, 1574258, 1574259, 1574260 via cif-deposit CGI script. |
1574257.cif |
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