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Information card for entry 1555419
Preview
| Coordinates | 1555419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H17 O5 |
|---|---|
| Calculated formula | C11 H16 O5 |
| SMILES | O(C(=O)[C@]1(C(=O)[C@H](OC1=O)C)C)C(C)(C)C.O(C(=O)[C@@]1(C(=O)[C@@H](OC1=O)C)C)C(C)(C)C |
| Title of publication | Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters. |
| Authors of publication | Nakhla, Mina C.; Lee, Che-Wah; Wood, John L. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5760 - 5763 |
| a | 6.4697 ± 0.0006 Å |
| b | 11.6627 ± 0.0011 Å |
| c | 16.0124 ± 0.0014 Å |
| α | 90° |
| β | 93.278 ± 0.003° |
| γ | 90° |
| Cell volume | 1206.23 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1458 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.1823 |
| Weighted residual factors for all reflections included in the refinement | 0.2192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238644 (current) | 2019-11-24 | cif/ Adding structures of 1555419 via cif-deposit CGI script. |
1555419.cif |
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Users of the data should acknowledge the original authors of the
structural data.