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Information card for entry 1505883
Preview
| Coordinates | 1505883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H8 S2 |
|---|---|
| Calculated formula | C14 H8 S2 |
| SMILES | c12sccc2ccc1=c1ccc2c1scc2 |
| Title of publication | Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes |
| Authors of publication | Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito |
| Journal of publication | Organic Letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 6 |
| Pages of publication | 1197 - 1200 |
| a | 7.31 ± 0.03 Å |
| b | 10.78 ± 0.02 Å |
| c | 14.356 ± 0.016 Å |
| α | 90° |
| β | 103.2 ± 0.2° |
| γ | 90° |
| Cell volume | 1101 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218678 (current) | 2019-09-22 | cif/1/ Updated bibliographic information in entries 1505883-1505884, 1513311, 1516750. |
1505883.cif |
| 201954 | 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. |
1505883.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. |
1505883.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505883.cif |
| 47820 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505883 via cif-deposit CGI script. |
1505883.cif |
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Users of the data should acknowledge the original authors of the
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