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Information card for entry 7239413
Preview
| Coordinates | 7239413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 N2 O3 |
|---|---|
| Calculated formula | C17 H20 N2 O3 |
| Title of publication | Sequential one-pot three component rhodium-catalysed isomerisation/1,3-dipolar cycloaddition cascades to fused-ring heterocycles |
| Authors of publication | Windle, Jonathan; Allison, Matthew; Shepherd, Helena; Sridharan, Visuvanathar |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 2624 |
| a | 12.5132 ± 0.0009 Å |
| b | 9.0524 ± 0.0004 Å |
| c | 14.4988 ± 0.001 Å |
| α | 90° |
| β | 111.345 ± 0.008° |
| γ | 90° |
| Cell volume | 1529.69 ± 0.19 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244690 (current) | 2019-11-28 | cif/ Adding structures of 7239413 via cif-deposit CGI script. |
7239413.cif |
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Users of the data should acknowledge the original authors of the
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