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Information card for entry 4084444
Preview
| Coordinates | 4084444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 Br S |
|---|---|
| Calculated formula | C14 H13 Br S |
| SMILES | Brc1ccc2c3c(ccc(SCC)c13)CC2 |
| Title of publication | Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes |
| Authors of publication | Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 21 |
| Pages of publication | 6089 |
| a | 15.932 ± 0.01 Å |
| b | 7.746 ± 0.005 Å |
| c | 18.895 ± 0.011 Å |
| α | 90° |
| β | 99.008 ± 0.015° |
| γ | 90° |
| Cell volume | 2303 ± 2 Å3 |
| Cell temperature | 125 K |
| Ambient diffraction temperature | 125 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.1962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178733 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/44. |
4084444.cif |
| 127195 | 2014-11-12 | cif/ Updating files of 4084433, 4084434, 4084435, 4084436, 4084437, 4084438, 4084439, 4084440, 4084441, 4084442, 4084443, 4084444 Original log message: Adding full bibliography for 4084433--4084444.cif. |
4084444.cif |
| 124527 | 2014-10-03 | cif/ Adding structures of 4084433, 4084434, 4084435, 4084436, 4084437, 4084438, 4084439, 4084440, 4084441, 4084442, 4084443, 4084444 via cif-deposit CGI script. |
4084444.cif |
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Users of the data should acknowledge the original authors of the
structural data.