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Information card for entry 1508851
Preview
| Coordinates | 1508851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C36 H48 S4 Si2 |
|---|---|
| Calculated formula | C36 H48 S4 Si2 |
| SMILES | c12c(c3c(c4c5c(c6c(c14)scc6)ccs5)sc(c3)[Si](C(C)C)(C(C)C)C(C)C)cc(s2)[Si](C(C)C)(C(C)C)C(C)C |
| Title of publication | Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core. |
| Authors of publication | Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 80 - 83 |
| a | 7.5456 ± 0.0011 Å |
| b | 12.1175 ± 0.0017 Å |
| c | 19.49 ± 0.003 Å |
| α | 80.956 ± 0.004° |
| β | 88.114 ± 0.004° |
| γ | 87.511 ± 0.004° |
| Cell volume | 1757.6 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508851.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. |
1508851.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508851.cif |
| 74004 | 2013-02-21 | cif/ Adding structures of 1508851 via cif-deposit CGI script. |
1508851.cif |
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Users of the data should acknowledge the original authors of the
structural data.