Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7122769
Preview
| Coordinates | 7122769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H38 O2 S Si2 |
|---|---|
| Calculated formula | C30 H38 O2 S Si2 |
| Title of publication | Synthesis of carbonyl-bridged dibenzofulvalenes and related compounds by rhodium-catalyzed stitching reaction. |
| Authors of publication | Shintani, Ryo; Kishikawa, Shinnosuke; Nakamura, Kimihiro; Tsuda, Tomohiro; Nozaki, Kyoko |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| a | 10.249 ± 0.002 Å |
| b | 11.586 ± 0.003 Å |
| c | 12.434 ± 0.003 Å |
| α | 82.379 ± 0.009° |
| β | 77.407 ± 0.008° |
| γ | 85.599 ± 0.008° |
| Cell volume | 1426.5 ± 0.6 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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. |
7122769.cif |
| 212895 | 2019-01-11 | cif/ Adding structures of 7122767, 7122768, 7122769, 7122770 via cif-deposit CGI script. |
7122769.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.