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Information card for entry 7023447
Preview
| Coordinates | 7023447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Octakis(3-iodopropyl)octasilsesquioxane |
|---|---|
| Chemical name | Octakis(3-iodopropyl)octasilsesquioxane |
| Formula | C24 H48 I8 O12 Si8 |
| Calculated formula | C24 H48 I8 O12 Si8 |
| SMILES | C(CCI)[Si]12O[Si]3(CCCI)O[Si]4(O[Si](O1)(CCCI)O[Si]1(CCCI)O[Si](CCCI)(O[Si](O[Si](O2)(O1)CCCI)(CCCI)O3)O4)CCCI |
| Title of publication | One-pot synthesis of halogen exchanged silsesquioxanes: octakis(3-bromopropyl)octasilsesquioxane and octakis(3-iodopropyl)octasilsesquioxane. |
| Authors of publication | Ervithayasuporn, V.; Pornsamutsin, N.; Prangyoo, P.; Sammawutthichai, K.; Jaroentomeechai, T.; Phurat, C.; Teerawatananond, T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 37 |
| Pages of publication | 13747 - 13753 |
| a | 8.8808 ± 0.0015 Å |
| b | 12.262 ± 0.002 Å |
| c | 12.529 ± 0.002 Å |
| α | 111.216 ± 0.007° |
| β | 95.856 ± 0.007° |
| γ | 98.847 ± 0.006° |
| Cell volume | 1238.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Cell measurement pressure | 101.325 kPa |
| 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 | 0.0326 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023447.cif |
| 179939 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/34. |
7023447.cif |
| 90539 | 2013-11-18 | cif/ Adding structures of 7023447 via cif-deposit CGI script. |
7023447.cif |
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