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Information card for entry 4038250
Preview
| Coordinates | 4038250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | furoxan |
|---|---|
| Formula | C8 H5 Cl N2 O3 |
| Calculated formula | C8 H5 Cl N2 O3 |
| SMILES | Clc1n(=O)onc1Oc1ccccc1 |
| Title of publication | Synthesis and Synthetic Application of Chloro- and Bromofuroxans. |
| Authors of publication | Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| Journal volume | 85 |
| Journal issue | 9 |
| Pages of publication | 5959 - 5972 |
| a | 6.5586 ± 0.0013 Å |
| b | 7.4628 ± 0.0014 Å |
| c | 8.5758 ± 0.0017 Å |
| α | 90° |
| β | 92.046 ± 0.003° |
| γ | 90° |
| Cell volume | 419.48 ± 0.14 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251478 (current) | 2020-05-04 | cif/ Updating files of 4038245, 4038246, 4038247, 4038248, 4038249, 4038250, 4038251, 4038252, 4038253 Original log message: Adding full bibliography for 4038245--4038253.cif. |
4038250.cif |
| 250732 | 2020-04-14 | cif/ Adding structures of 4038250 via cif-deposit CGI script. |
4038250.cif |
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Users of the data should acknowledge the original authors of the
structural data.