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Information card for entry 4030371
Preview
| Coordinates | 4030371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H16 N2 O6 |
|---|---|
| Calculated formula | C24 H16 N2 O6 |
| SMILES | c1(ccccc1)C(CON1C(=O)c2ccccc2C1=O)ON1C(=O)c2ccccc2C1=O |
| Title of publication | Metal-Free Three-Component Oxyazidation of Alkenes with Trimethylsilyl Azide and N-Hydroxyphthalimide. |
| Authors of publication | Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang; Liang, Yong-Min |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 80 |
| Journal issue | 1 |
| Pages of publication | 290 |
| a | 8.0113 ± 0.0003 Å |
| b | 34.7315 ± 0.0011 Å |
| c | 8.13 ± 0.0003 Å |
| α | 90° |
| β | 114.014 ± 0.002° |
| γ | 90° |
| Cell volume | 2066.33 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4030371.cif |
| 178089 | 2016-03-10 | cif/4 Fixing Z values and formulae |
4030371.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4030371.cif |
| 130746 | 2015-02-04 | cif/ Updating files of 4030371 Original log message: Adding full bibliography for 4030371.cif. |
4030371.cif |
| 128956 | 2014-12-21 | cif/ Adding structures of 4030371 via cif-deposit CGI script. |
4030371.cif |
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