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Information card for entry 7214231
Preview
| Coordinates | 7214231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 I4 O5 S4 |
|---|---|
| Calculated formula | C42 H48 I4 O5 S4 |
| Title of publication | Halogen‒halogen interactions and halogen bonding in thiacalixarene systems |
| Authors of publication | Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 13 |
| Pages of publication | 2605 |
| a | 18.4313 ± 0.0009 Å |
| b | 14.2656 ± 0.0005 Å |
| c | 17.855 ± 0.0006 Å |
| α | 90° |
| β | 92.4043 ± 0.001° |
| γ | 90° |
| Cell volume | 4690.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180473 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/42. |
7214231.cif |
| 108267 | 2014-03-30 | cif/ Adding structures of 7214230, 7214231 via cif-deposit CGI script. |
7214231.cif |
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Users of the data should acknowledge the original authors of the
structural data.