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Information card for entry 1546676
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| Coordinates | 1546676.cif |
|---|---|
| Structure factors | 1546676.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Dodecaallylhexasilacyclohexane |
|---|---|
| Chemical name | 1,1,2,2,3,3,4,4,5,5,6,6-Dodecaallylhexasilinane |
| Formula | C36 H60 Si6 |
| Calculated formula | C36 H60 Si6 |
| SMILES | [Si]1([Si]([Si]([Si]([Si]([Si]1(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C |
| Title of publication | Dodecaallylhexasilacyclohexane |
| Authors of publication | Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | x170807 |
| a | 9.6036 ± 0.0002 Å |
| b | 10.806 ± 0.0003 Å |
| c | 11.4686 ± 0.0003 Å |
| α | 108.617 ± 0.002° |
| β | 100.558 ± 0.002° |
| γ | 109.477 ± 0.0012° |
| Cell volume | 1005.91 ± 0.05 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546676.cif 1546676.hkl |
| 199270 | 2017-07-25 | cif/ hkl/ Adding structures of 1546676 via cif-deposit CGI script. |
1546676.cif 1546676.hkl |
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Users of the data should acknowledge the original authors of the
structural data.