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Information card for entry 4071129
Preview
| Coordinates | 4071129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DSiT-dimer |
|---|---|
| Chemical name | 2,2',3,3',6,6',7,7',14,14',15,15'-Dodeca(isopropoxy)- 10,10'-bis(trimethylsilyl)-,9,9'-bi-9,10-disilatriptycyl' |
| Formula | C78 H114 O12 Si6 |
| Calculated formula | C78 H114 O12 Si6 |
| Title of publication | Synthesis and Electronic Spectra of Disilatriptycene Oligomers: Evidence for Electronic Delocalization along the One-Dimensional Arrangement of Bridge-Head Disilanes |
| Authors of publication | Sase, Shohei; Cho, Yoen-Seok; Kawachi, Atsushi; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Tsuji, Hayato; Tamao, Kohei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5441 |
| a | 18.2723 ± 0.0002 Å |
| b | 11.9096 ± 0.0002 Å |
| c | 18.6349 ± 0.0003 Å |
| α | 90° |
| β | 90.3209 ± 0.0009° |
| γ | 90° |
| Cell volume | 4055.18 ± 0.1 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11. |
4071129.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071129.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071129.cif |
| 43061 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071129 via cif-deposit CGI script. |
4071129.cif |
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