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Information card for entry 4108715
Preview
| Coordinates | 4108715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | di(methyltripticil)difluorosilane |
|---|---|
| Formula | C48 H36 F2 Si |
| Calculated formula | C48 H36 F2 Si |
| Title of publication | Introduction of Clutch Function into a Molecular Gear System by Silane-Silicate Interconversion |
| Authors of publication | Wataru Setaka; Takayoshi Nirengi; Chizuko Kabuto; Mitsuo Kira |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 15762 - 15763 |
| a | 11.81 ± 0.005 Å |
| b | 21.803 ± 0.009 Å |
| c | 13.251 ± 0.006 Å |
| α | 90° |
| β | 90.155 ± 0.006° |
| γ | 90° |
| Cell volume | 3412 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4108715.cif |
| 178833 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87. |
4108715.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108715.cif |
| 57083 | 2012-05-16 | cif/ Adding structures of 4108715 via cif-deposit CGI script. |
4108715.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.