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Information card for entry 7110592
Preview
| Coordinates | 7110592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H10 O3 |
|---|---|
| Calculated formula | C7 H10 O3 |
| SMILES | O1C(=CC(=O)COCC1)C |
| Title of publication | Catalysis of chlorosilane on the ring-expansion of cyclic acetals bearing a carbene precursor. Lewis acid‒base effect on the oxonium ylide intermediate |
| Authors of publication | Mori, Takashi; Oku, Akira |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 14 |
| Pages of publication | 1339 |
| a | 13.686 ± 0.001 Å |
| b | 4.231 ± 0.001 Å |
| c | 14.108 ± 0.002 Å |
| α | 90° |
| β | 117.924 ± 0.003° |
| γ | 90° |
| Cell volume | 721.8 ± 0.2 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110592.cif |
| 95464 | 2014-01-28 | cif/ Adding structures of 7110592 via cif-deposit CGI script. |
7110592.cif |
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Users of the data should acknowledge the original authors of the
structural data.