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Information card for entry 1501789
Preview
| Coordinates | 1501789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C462 H376 O12 Si8 |
|---|---|
| Calculated formula | C336 H232 O12 Si8 |
| SMILES | [Si]12(O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O[Si](O5)(O[Si](O1)(O4)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(O2)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes |
| Authors of publication | Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M. |
| Journal of publication | Macromolecules |
| Year of publication | 2011 |
| Journal volume | 44 |
| Journal issue | 9 |
| Pages of publication | 3425 |
| a | 21.6705 ± 0.0018 Å |
| b | 22.7273 ± 0.0019 Å |
| c | 27.648 ± 0.002 Å |
| α | 70.874 ± 0.001° |
| β | 88.818 ± 0.001° |
| γ | 64.954 ± 0.001° |
| Cell volume | 11544.1 ± 1.6 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501789.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501789.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501789.cif |
| 35141 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501789 via cif-deposit CGI script. |
1501789.cif |
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Users of the data should acknowledge the original authors of the
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