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Information card for entry 7126969
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| Coordinates | 7126969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene |
|---|---|
| Chemical name | 3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene |
| Formula | C24 H12 Br4 Si |
| Calculated formula | C24 H12 Br4 Si |
| SMILES | Brc1ccc2[Si]3(c4ccc(Br)cc4c2c1)c1c(cc(Br)cc1)c1c3ccc(Br)c1 |
| 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 | 10.3068 ± 0.0002 Å |
| b | 14.7409 ± 0.0002 Å |
| c | 28.6394 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4351.23 ± 0.12 Å3 |
| Cell temperature | 106 ± 8 K |
| Ambient diffraction temperature | 106 ± 8 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0183 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0443 |
| Weighted residual factors for all reflections included in the refinement | 0.0446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54182 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. |
7126969.cif |
| 256009 | 2020-09-06 | cif/ Updating files of 7126968, 7126969 Original log message: Adding full bibliography for 7126968--7126969.cif. |
7126969.cif |
| 254561 | 2020-07-25 | cif/ Adding structures of 7126968, 7126969 via cif-deposit CGI script. |
7126969.cif |
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Users of the data should acknowledge the original authors of the
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