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Information card for entry 1556547
Preview
Coordinates | 1556547.cif |
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Original paper (by DOI) | HTML |
Common name | 1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane |
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Chemical name | 1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane |
Formula | C30 H54 O9 Si6 |
Calculated formula | C30 H54 O9 Si6 |
SMILES | O1[Si]2(O[Si]3(O[Si]1(C1CCCC1)O[Si]1(O[Si](O2)(O[Si](O3)(O1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1 |
Title of publication | Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol |
Authors of publication | Kahr, J.; Belaj, F.; Pietschnig, R. |
Journal of publication | Inorganics |
Year of publication | 2017 |
Journal volume | 5 |
Pages of publication | 66 |
a | 16.2855 ± 0.0008 Å |
b | 22.346 ± 0.0011 Å |
c | 19.6563 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7153.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 68 |
Hermann-Mauguin space group symbol | C c c a :2 |
Hall space group symbol | -C 2a 2ac |
Residual factor for all reflections | 0.0533 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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