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Information card for entry 2239464
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| Coordinates | 2239464.cif |
|---|---|
| Structure factors | 2239464.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(2,3,5,5-tetramethylhexen-2-yl)silane |
|---|---|
| Formula | C40 H76 Si |
| Calculated formula | C40 H76 Si |
| SMILES | C(C(=C(\CC(C)(C)C)C)\C)[Si](CC(=C(\CC(C)(C)C)C)\C)(C/C(=C(CC(C)(C)C)\C)C)C/C(=C(CC(C)(C)C)\C)C |
| Title of publication | Tetrakis(2,3,5,5-tetramethylhexen-2-yl)silane |
| Authors of publication | Meyer-Wegner, Frank; Bolte, Michael; Lerner, Hans-Wolfram |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o376 |
| a | 12.578 ± 0.0011 Å |
| b | 12.578 ± 0.0011 Å |
| c | 25.053 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3963.5 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239464.cif 2239464.hkl |
| 181313 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94. |
2239464.cif 2239464.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239464.cif 2239464.hkl |
| 110747 | 2014-04-19 | cif/ hkl/ Adding structures of 2239464 via cif-deposit CGI script. |
2239464.cif 2239464.hkl |
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