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Information card for entry 4123949
Preview
| Coordinates | 4123949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 B N |
|---|---|
| Calculated formula | C8 H8 B N |
| Title of publication | Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl. |
| Authors of publication | Brown, Alec N.; Li, Bo; Liu, Shih-Yuan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 28 |
| Pages of publication | 8932 - 8935 |
| a | 8.1542 ± 0.0006 Å |
| b | 5.7395 ± 0.0004 Å |
| c | 7.759 ± 0.0005 Å |
| α | 90° |
| β | 107.059 ± 0.006° |
| γ | 90° |
| Cell volume | 347.15 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0666 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1557 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152860 (current) | 2015-08-05 | cif/ Updating files of 4123948, 4123949 Original log message: Adding full bibliography for 4123948--4123949.cif. |
4123949.cif |
| 141523 | 2015-07-10 | cif/ Adding structures of 4123949 via cif-deposit CGI script. |
4123949.cif |
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Users of the data should acknowledge the original authors of the
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