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Information card for entry 1508833
Preview
Coordinates | 1508833.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H120 O12 Si8 |
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Calculated formula | C56 H120 O12 Si8 |
SMILES | [Si]12(O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O4)(O[Si](O3)(O[Si](O1)(O2)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC |
Title of publication | X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes |
Authors of publication | El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William |
Journal of publication | Macromolecules |
Year of publication | 2013 |
Journal volume | 46 |
Journal issue | 3 |
Pages of publication | 988 |
a | 8.5414 ± 0.001 Å |
b | 8.9275 ± 0.0012 Å |
c | 23.11 ± 0.003 Å |
α | 84.579 ± 0.006° |
β | 87.068 ± 0.007° |
γ | 89.294 ± 0.008° |
Cell volume | 1752 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.2561 |
Residual factor for significantly intense reflections | 0.1423 |
Weighted residual factors for significantly intense reflections | 0.1688 |
Weighted residual factors for all reflections included in the refinement | 0.2052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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. |
1508833.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508833.cif |
73991 | 2013-02-21 | cif/ Adding structures of 1508832, 1508833, 1508834, 1508835, 1508836, 1508837, 1508838 via cif-deposit CGI script. |
1508833.cif |
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Users of the data should acknowledge the original authors of the
structural data.