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Information card for entry 8106901
Preview
| Coordinates | 8106901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H10 F2 N2 O8 |
|---|---|
| Calculated formula | C20 H10 F2 N2 O8 |
| Title of publication | Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8 |
| Authors of publication | Chen, Wei; Ji, Mian; Yang, Shiyong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 439 - 440 |
| a | 9.0557 ± 0.0019 Å |
| b | 9.2766 ± 0.0017 Å |
| c | 12.641 ± 0.003 Å |
| α | 109.115 ± 0.011° |
| β | 97.058 ± 0.011° |
| γ | 108.767 ± 0.011° |
| Cell volume | 918.6 ± 0.4 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281774 (current) | 2023-03-09 | cif/ Adding structures of 8106901 via cif-deposit CGI script. |
8106901.cif |
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Users of the data should acknowledge the original authors of the
structural data.