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Information card for entry 7218376
Preview
| Coordinates | 7218376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H25 N O6 |
|---|---|
| Calculated formula | C26 H25 N O6 |
| SMILES | N1(c2c(cccc2)[C@H](C1=O)[C@@H]1/C(=C\C(=O)OCC)OC(=C\C(=O)OCc2ccccc2)\C1)C.N1(c2c(cccc2)[C@@H](C1=O)[C@H]1/C(=C\C(=O)OCC)OC(=C\C(=O)OCc2ccccc2)\C1)C |
| Title of publication | Convenient Synthesis of Substituted Tetrahydrofuran via Lewis Base Catalyzed [3+2] Domino Reactions |
| Authors of publication | Meng, Xiangtai; Liu, yufen; Zhang, qi; Du, yanlong; Yu, aimin; Zhang, Kui |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| a | 12.0466 ± 0.0011 Å |
| b | 11.5265 ± 0.001 Å |
| c | 16.5292 ± 0.0014 Å |
| α | 90° |
| β | 101.315 ± 0.002° |
| γ | 90° |
| Cell volume | 2250.6 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218376.cif |
| 180514 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/83. |
7218376.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7218376.cif |
| 125067 | 2014-10-08 | cif/ Adding structures of 7218376 via cif-deposit CGI script. |
7218376.cif |
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Users of the data should acknowledge the original authors of the
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