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Information card for entry 7112929
Preview
| Coordinates | 7112929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-<i>p</i>-Mercaptophenyl-2,2,4-Trimethylchroman carbon tetrachloride clathrate |
|---|---|
| Formula | C110 H120 Cl8 O6 S6 |
| Calculated formula | C110 H120 Cl8 O6 S6 |
| Title of publication | Templated polar order of a guest in a quasiracemic organic host. |
| Authors of publication | Jacobs, Tia; Bredenkamp, Martin W.; Neethling, Pieter H.; Rohwer, Erich G.; Barbour, Leonard J. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 44 |
| Pages of publication | 8341 - 8343 |
| a | 26.632 ± 0.0019 Å |
| b | 26.632 ± 0.0019 Å |
| c | 12.0349 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7392.3 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0738 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1855 |
| Weighted residual factors for all reflections included in the refinement | 0.1919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194623 (current) | 2017-03-30 | cif/ (antanas@echidna.ibt.lt) Updating the _cod_depositor_comments data item value in entries 2214177, 2214701, 2216351, 2217418, 2219354, 2220598, 2222330, 2222572, 2222926, 2240120, 4103194, 4105431, 4105432, 4342184, 7023203, 7112929. |
7112929.cif |
| 194621 | 2017-03-30 | cif/ (antanas@echidna.ibt.lt) Balancing the opening and closing italics markup tags ("<i>", "</i>") in the _chemical_name_systematic data item value in entries 2214177, 2214701, 2216351, 2217418, 2219354, 2220598, 2222330, 2222572, 2222926, 2240120, 4103194, 4105431, 4105432, 4342184, 7023203, 7112929. |
7112929.cif |
| 180243 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29. |
7112929.cif |
| 112168 | 2014-04-30 | cif/ Adding structures of 7112928, 7112929, 7112930 via cif-deposit CGI script. |
7112929.cif |
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Users of the data should acknowledge the original authors of the
structural data.