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Information card for entry 8107257
Preview
| Coordinates | 8107257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 F2 N2 O4 |
|---|---|
| Calculated formula | C20 H22 F2 N2 O4 |
| Title of publication | Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4 |
| Authors of publication | Zhao, Ji-Xing; Wang, Xiao-Jun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 937 - 938 |
| a | 4.7005 ± 0.0002 Å |
| b | 10.2279 ± 0.0003 Å |
| c | 10.9917 ± 0.0003 Å |
| α | 63.151 ± 0.001° |
| β | 83.369 ± 0.002° |
| γ | 83.014 ± 0.002° |
| Cell volume | 466.88 ± 0.03 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283965 (current) | 2023-05-23 | cif/ Adding structures of 8107257 via cif-deposit CGI script. |
8107257.cif |
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Users of the data should acknowledge the original authors of the
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