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Information card for entry 4125504
Preview
| Coordinates | 4125504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H23 B Br2 |
|---|---|
| Calculated formula | C29 H23 B Br2 |
| Title of publication | Facile Route to Quadruply Annulated Borepins. |
| Authors of publication | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 7 |
| Pages of publication | 2842 - 2851 |
| a | 14.577 ± 0.003 Å |
| b | 21.308 ± 0.002 Å |
| c | 7.6497 ± 0.0011 Å |
| α | 90° |
| β | 93.398 ± 0.015° |
| γ | 90° |
| Cell volume | 2371.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1758 |
| Weighted residual factors for all reflections included in the refinement | 0.1921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193515 (current) | 2017-03-04 | cif/ Updating files of 4125504, 4125505, 4125506, 4125507, 4125508, 4125509 Original log message: Adding full bibliography for 4125504--4125509.cif. |
4125504.cif |
| 192563 | 2017-03-01 | cif/ Adding structures of 4125504, 4125505, 4125506, 4125507, 4125508, 4125509 via cif-deposit CGI script. |
4125504.cif |
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Users of the data should acknowledge the original authors of the
structural data.