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Information card for entry 1513324
Preview
| Coordinates | 1513324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compd-2 |
|---|---|
| Formula | C46 H40 S12 Si2 |
| Calculated formula | C46 H40 S12 Si4 |
| SMILES | [Si](c1sc2sc3sc4c(c3c2c1)c1c(sc2sc3sc([Si](C)(C)C)cc3c12)c1c4c2sc3sc4sc([Si](C)(C)C)cc4c3c2c2c1sc1sc3sc([Si](C)(C)C)cc3c21)(C)(C)C |
| Title of publication | Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene |
| Authors of publication | Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua |
| Journal of publication | Organic Letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 456 - 459 |
| a | 16.816 ± 0.003 Å |
| b | 16.811 ± 0.003 Å |
| c | 38.298 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10827 ± 3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.886 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1503372 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210330 (current) | 2018-09-02 | cif/1/ Updating bibliography in entries 1503372, 1513324, 1516316. Marking entries 1513324, 1516316 as duplicates of entry 1503372. |
1513324.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513324.cif |
| 108723 | 2014-04-03 | cif/1 Fixing formula and Z values |
1513324.cif |
| 99241 | 2014-01-30 | cif/ Adding structures of 1513324 via cif-deposit CGI script. |
1513324.cif |
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