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Information card for entry 7218375
Preview
| Coordinates | 7218375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 N O6 |
|---|---|
| Calculated formula | C25 H23 N O6 |
| SMILES | O(Cc1ccccc1)C(=O)/C=C\1OC(=C\C(=O)OCC)/[C@H](C1)[C@H]1c2ccccc2NC1=O.O(Cc1ccccc1)C(=O)/C=C\1OC(=C\C(=O)OCC)/[C@@H](C1)[C@@H]1c2ccccc2NC1=O |
| 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 | 9.5427 ± 0.0019 Å |
| b | 9.677 ± 0.002 Å |
| c | 11.933 ± 0.002 Å |
| α | 93.455 ± 0.004° |
| β | 99.378 ± 0.004° |
| γ | 97.885 ± 0.004° |
| Cell volume | 1073.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
7218375.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. |
7218375.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 {}' |
7218375.cif |
| 125066 | 2014-10-08 | cif/ Adding structures of 7218375 via cif-deposit CGI script. |
7218375.cif |
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Users of the data should acknowledge the original authors of the
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