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Information card for entry 7121520
Preview
| Coordinates | 7121520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H40 B2 N2 |
|---|---|
| Calculated formula | C36 H40 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 | 9.3775 ± 0.0015 Å |
| b | 9.7968 ± 0.0014 Å |
| c | 10.2151 ± 0.0019 Å |
| α | 62.343 ± 0.008° |
| β | 79.192 ± 0.012° |
| γ | 65.439 ± 0.01° |
| Cell volume | 756 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| 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. |
7121520.cif |
| 228295 | 2019-11-17 | cif/ Updating files of 7121519, 7121520 Original log message: Adding full bibliography for 7121519--7121520.cif. |
7121520.cif |
| 207368 | 2018-04-17 | cif/ Adding structures of 7121520 via cif-deposit CGI script. |
7121520.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.