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Information card for entry 2242574
Preview
Coordinates | 2242574.cif |
---|---|
Structure factors | 2242574.hkl |
Original paper (by DOI) | HTML |
Chemical name | 2-Bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane |
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Formula | C27 H63 Br Si4 |
Calculated formula | C27 H63 Br Si4 |
SMILES | Br[Si]([Si](C(C)C)(C(C)C)C(C)C)([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane |
Authors of publication | Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 8 |
Pages of publication | 1142 - 1146 |
a | 8.4412 ± 0.0004 Å |
b | 11.1336 ± 0.0006 Å |
c | 18.8477 ± 0.001 Å |
α | 92.565 ± 0.004° |
β | 90.527 ± 0.004° |
γ | 108.718 ± 0.004° |
Cell volume | 1675.44 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0705 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0751 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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209237 (current) | 2018-07-24 | cif/ hkl/ Adding structures of 2242573, 2242574 via cif-deposit CGI script. |
2242574.cif 2242574.hkl |
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Users of the data should acknowledge the original authors of the
structural data.