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Information card for entry 4114516
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| Coordinates | 4114516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | C6BP |
|---|---|
| Chemical name | 4-n-hexylbiphenyl |
| Formula | C18 H22 |
| Calculated formula | C18 H22 |
| SMILES | c1(ccc(cc1)CCCCCC)c1ccccc1 |
| Title of publication | Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface |
| Authors of publication | David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 15922 - 15934 |
| a | 31.558 ± 0.018 Å |
| b | 5.377 ± 0.005 Å |
| c | 7.943 ± 0.005 Å |
| α | 90° |
| β | 93.216 ± 0.019° |
| γ | 90° |
| Cell volume | 1345.7 ± 1.7 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 2 |
| 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 | 0.19 |
| Residual factor for significantly intense reflections | 0.1527 |
| Weighted residual factors for significantly intense reflections | 0.3604 |
| Weighted residual factors for all reflections included in the refinement | 0.3801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.5594 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4114516.cif |
| 178916 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45. |
4114516.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114516.cif |
| 67844 | 2012-10-05 | cif/ Adding structures of 4114516 via cif-deposit CGI script. |
4114516.cif |
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Users of the data should acknowledge the original authors of the
structural data.