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Information card for entry 1503369
Preview
| Coordinates | 1503369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compd-3 |
|---|---|
| Formula | C48 H42 Cl6 O2 S12 Si4 |
| Calculated formula | C48 H42 Cl6 O2 S12 Si4 |
| SMILES | c12c(c3c(s2)sc2c3cc(s2)[Si](C)(C)C)c2c(C(=O)c3c(c4c(C1=O)sc1c4c4c(s1)sc(c4)[Si](C)(C)C)c1c(s3)sc3c1cc(s3)[Si](C)(C)C)sc1c2c2c(s1)sc(c2)[Si](C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| 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 | 12.9084 ± 0.0008 Å |
| b | 12.9205 ± 0.0008 Å |
| c | 38.481 ± 0.002 Å |
| α | 91.985 ± 0.001° |
| β | 97.364 ± 0.001° |
| γ | 91.075 ± 0.001° |
| Cell volume | 6359.5 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1087 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.2297 |
| Weighted residual factors for all reflections included in the refinement | 0.2594 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1503369.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503369.cif |
| 37243 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503369 via cif-deposit CGI script. |
1503369.cif |
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Users of the data should acknowledge the original authors of the
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