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Information card for entry 7238937
Preview
| Coordinates | 7238937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 O4 |
|---|---|
| Calculated formula | C17 H18 O4 |
| Title of publication | Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate |
| Authors of publication | Wang, Qiang; Xu, Zhouqing; Fan, Xuesen |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 13 |
| Pages of publication | 4156 |
| a | 9.4369 ± 0.0019 Å |
| b | 17.895 ± 0.004 Å |
| c | 8.6611 ± 0.0017 Å |
| α | 90° |
| β | 91.58 ± 0.03° |
| γ | 90° |
| Cell volume | 1462.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0627 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244472 (current) | 2019-11-28 | cif/ Adding structures of 7238936, 7238937, 7238938 via cif-deposit CGI script. |
7238937.cif |
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Users of the data should acknowledge the original authors of the
structural data.