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Information card for entry 8104722
Preview
| Coordinates | 8104722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 F2 N2 |
|---|---|
| Calculated formula | C20 H18 F2 N2 |
| Title of publication | Crystal structure of N 1,N 2-bis(2-fluorobenzyl)benzene-1,2-diamine,C20H18F2N2 |
| Authors of publication | Ning, Zhi Wei; Gan, Lin Ling; Zhou, Shu Jing; Tian, Jie; Du, Yu Hui; Zhang, Hui Zhen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 819 - 820 |
| a | 12.4233 ± 0.0011 Å |
| b | 7.3805 ± 0.0007 Å |
| c | 18.9531 ± 0.0016 Å |
| α | 90° |
| β | 104.109 ± 0.003° |
| γ | 90° |
| Cell volume | 1685.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273599 (current) | 2022-03-10 | cif/ Adding structures of 8104722 via cif-deposit CGI script. |
8104722.cif |
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Users of the data should acknowledge the original authors of the
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