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Information card for entry 7121319
Preview
| Coordinates | 7121319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 Br N5 O6 |
|---|---|
| Calculated formula | C23 H29 Br N5 O6 |
| Title of publication | Accessing highly functionalized cyclopentanoids via a cascade palladation approach: unprecedented benzylic C-H activation towards cyclopentenoindanes. |
| Authors of publication | Santhini, P. V.; Smrithy, A. S.; Irfana Jesin, C. P.; Varughese, Sunil; John, Jubi; Radhakrishnan, K. V. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 24 |
| Pages of publication | 2982 - 2985 |
| a | 10.716 ± 0.003 Å |
| b | 18.53 ± 0.004 Å |
| c | 13.213 ± 0.003 Å |
| α | 90° |
| β | 91.445 ± 0.006° |
| γ | 90° |
| Cell volume | 2622.8 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.056 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227996 (current) | 2019-11-17 | cif/ Updating files of 7121319, 7121320 Original log message: Adding full bibliography for 7121319--7121320.cif. |
7121319.cif |
| 206634 | 2018-02-24 | cif/ Adding structures of 7121319, 7121320 via cif-deposit CGI script. |
7121319.cif |
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Users of the data should acknowledge the original authors of the
structural data.