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Information card for entry 7121414
Preview
| Coordinates | 7121414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 B F4 N |
|---|---|
| Calculated formula | C16 H18 B F4 N |
| Title of publication | A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne. |
| Authors of publication | Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 32 |
| Pages of publication | 4009 - 4012 |
| a | 12.9618 ± 0.0006 Å |
| b | 9.9513 ± 0.0004 Å |
| c | 13.2243 ± 0.0007 Å |
| α | 90° |
| β | 118.42 ± 0.001° |
| γ | 90° |
| Cell volume | 1500.19 ± 0.12 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.1653 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.2778 |
| Weighted residual factors for all reflections included in the refinement | 0.3401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228081 (current) | 2019-11-17 | cif/ Updating files of 7121414, 7121415, 7121416, 7121417 Original log message: Adding full bibliography for 7121414--7121417.cif. |
7121414.cif |
| 207043 | 2018-03-22 | cif/ Adding structures of 7121414, 7121415, 7121416, 7121417 via cif-deposit CGI script. |
7121414.cif |
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Users of the data should acknowledge the original authors of the
structural data.