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Information card for entry 1505884
Preview
| Coordinates | 1505884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H8 S2 |
|---|---|
| Calculated formula | C14 H8 S2 |
| SMILES | S1C2C(C=CC=2C=C1)=C1C=CC2=C1SC=C2 |
| 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 | 7.169 ± 0.001 Å |
| b | 17.422 ± 0.003 Å |
| c | 17.421 ± 0.002 Å |
| α | 87.315 ± 0.007° |
| β | 83.118 ± 0.006° |
| γ | 83.334 ± 0.007° |
| Cell volume | 2144.4 ± 0.5 Å3 |
| Cell temperature | 114.2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.2097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.7107 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. |
1505884.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. |
1505884.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505884.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505884.cif |
| 86281 | 2013-05-21 | smi/1 Adding SMILES of miscelaneous compounds in subdir 1 |
1505884.cif |
| 47821 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505884 via cif-deposit CGI script. |
1505884.cif |
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Users of the data should acknowledge the original authors of the
structural data.