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Information card for entry 4031714
Preview
| Coordinates | 4031714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51.3 H47.3 Cl21.9 S14 Si5 |
|---|---|
| Calculated formula | C44 H40 S14 Si5 |
| SMILES | c12c(c3c(s1)sc1c3cc(s1)[Si](C)(C)C)Sc1c([Si]32c2c(c4c(s2)sc2c4cc(s2)[Si](C)(C)C)Sc2c3sc3c2c2c(s3)sc(c2)[Si](C)(C)C)sc2c1c1c(s2)sc(c1)[Si](C)(C)C |
| Title of publication | Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures. |
| Authors of publication | Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 21 |
| Pages of publication | 11156 - 11161 |
| a | 11.792 ± 0.005 Å |
| b | 13.295 ± 0.005 Å |
| c | 44.329 ± 0.018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6950 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 50 |
| Hermann-Mauguin space group symbol | P b a n :2 |
| Hall space group symbol | -P 2ab 2b |
| Residual factor for all reflections | 0.118 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.2543 |
| Weighted residual factors for all reflections included in the refinement | 0.2685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273129 (current) | 2022-02-23 | cif/4 Fixing Z values and formulae |
4031714.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4031714.cif |
| 170814 | 2015-12-06 | cif/ Updating files of 4031713, 4031714, 4031715 Original log message: Adding full bibliography for 4031713--4031715.cif. |
4031714.cif |
| 169688 | 2015-10-23 | cif/ Adding structures of 4031714 via cif-deposit CGI script. |
4031714.cif |
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