Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7126968
Preview
| Coordinates | 7126968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2,2?,7,7?-tetrabromo-9,9?-spriosilabifluorene |
|---|---|
| Chemical name | 2,2?,7,7?-tetrabromo-9,9?-spriosilabifluorene |
| Formula | C31 H20 Br4 Si |
| Calculated formula | C31 H20 Br4 Si |
| SMILES | Brc1cc2[Si]3(c4c(ccc(Br)c4)c2cc1)c1c(c2c3cc(Br)cc2)ccc(Br)c1.c1c(cccc1)C |
| Title of publication | Accessing new microporous polyspirobifluorenes via a C/Si switch. |
| Authors of publication | Nesmelov, Andrei; Lee, David; Bejger, Christopher; Kocherga, Margaret; Lyles, Zachary; Greenier, Madeline K.; Vitallo, Ashley Ariel; Kaouk, Ghallia; Jones, Daniel S.; Schmedake, Thomas A. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 68 |
| Pages of publication | 9846 - 9849 |
| a | 11.1507 ± 0.0008 Å |
| b | 11.5156 ± 0.0006 Å |
| c | 11.6809 ± 0.0008 Å |
| α | 74.098 ± 0.005° |
| β | 80.106 ± 0.006° |
| γ | 83.183 ± 0.005° |
| Cell volume | 1416.99 ± 0.16 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7126968.cif |
| 256009 | 2020-09-06 | cif/ Updating files of 7126968, 7126969 Original log message: Adding full bibliography for 7126968--7126969.cif. |
7126968.cif |
| 254561 | 2020-07-25 | cif/ Adding structures of 7126968, 7126969 via cif-deposit CGI script. |
7126968.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.