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Information card for entry 7121519
Preview
| Coordinates | 7121519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H48 B2 N2 |
|---|---|
| Calculated formula | C28 H48 B2 N2 |
| Title of publication | Dimerization of boryl- and amino-substituted acetylenes by B<sub>2</sub>C<sub>2</sub> four-membered ring formation. |
| Authors of publication | Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 46 |
| Pages of publication | 5819 - 5822 |
| a | 13.356 ± 0.003 Å |
| b | 10.8079 ± 0.0018 Å |
| c | 18.731 ± 0.004 Å |
| α | 90° |
| β | 102.739 ± 0.003° |
| γ | 90° |
| Cell volume | 2637.3 ± 0.9 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121519.cif |
| 228295 | 2019-11-17 | cif/ Updating files of 7121519, 7121520 Original log message: Adding full bibliography for 7121519--7121520.cif. |
7121519.cif |
| 207367 | 2018-04-17 | cif/ Adding structures of 7121519 via cif-deposit CGI script. |
7121519.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.