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Information card for entry 2019670
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| Coordinates | 2019670.cif |
|---|---|
| Structure factors | 2019670.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane |
|---|---|
| Formula | C48 H40 O12 Si8 |
| Calculated formula | C48 H40 O12 Si8 |
| SMILES | O1[Si]2(O[Si]3(O[Si]4(O[Si]1(O[Si]1(O[Si](O[Si](O[Si](O1)(O4)c1ccccc1)(O3)c1ccccc1)(O2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | The polyoctahedral silsesquioxane (POSS) 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane (octaphenyl-POSS) |
| Authors of publication | Chinnam, Parameswara Rao; Gau, Michael R.; Schwab, Joseph; Zdilla, Michael J.; Wunder, Stephanie L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 971 - 974 |
| a | 16.406 ± 0.002 Å |
| b | 13.8849 ± 0.0017 Å |
| c | 21.57 ± 0.003 Å |
| α | 90° |
| β | 93.458 ± 0.002° |
| γ | 90° |
| Cell volume | 4904.6 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019670.cif 2019670.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019670.cif 2019670.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019670.cif 2019670.hkl |
| 126177 | 2014-11-03 | cif/ Updating files of 2019670 Original log message: Adding full bibliography for 2019670.cif. |
2019670.cif 2019670.hkl |
| 124380 | 2014-09-30 | cif/ hkl/ Adding structures of 2019670 via cif-deposit CGI script. |
2019670.cif 2019670.hkl |
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