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Information card for entry 7124687
Preview
| Coordinates | 7124687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 N2 O3 |
|---|---|
| Calculated formula | C15 H14 N2 O3 |
| Title of publication | Stereoselective synthesis of strained cage compounds via gold-catalyzed allene functionalization. |
| Authors of publication | Alcaide, Benito; Almendros, Pedro; Cembellín, Sara; Fernández, Israel; Martínez Del Campo, Teresa |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 67 |
| Pages of publication | 10265 - 10268 |
| a | 9.7836 ± 0.0014 Å |
| b | 19.184 ± 0.003 Å |
| c | 7.2536 ± 0.0011 Å |
| α | 90° |
| β | 110.113 ± 0.003° |
| γ | 90° |
| Cell volume | 1278.4 ± 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 | 0.1275 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234126 (current) | 2019-11-23 | cif/ Adding structures of 7124687 via cif-deposit CGI script. |
7124687.cif |
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Users of the data should acknowledge the original authors of the
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