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Information card for entry 7248458
Preview
| Coordinates | 7248458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cis-Decalin (LT form refined in triclinic SG) |
|---|---|
| Formula | C10 H18 |
| Calculated formula | C10 H18 |
| SMILES | C12CCCCC1CCCC2 |
| Title of publication | Structural chemistry of decalins and perfluorodecalins |
| Authors of publication | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 19 |
| Pages of publication | 2474 - 2490 |
| a | 8.2665 ± 0.0007 Å |
| b | 10.5475 ± 0.0007 Å |
| c | 11.9704 ± 0.0009 Å |
| α | 113.554 ± 0.002° |
| β | 90.201 ± 0.003° |
| γ | 112.704 ± 0.002° |
| Cell volume | 867.12 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292959 (current) | 2024-07-05 | cif/ Updating files of 7248441, 7248442, 7248443, 7248444, 7248445, 7248446, 7248447, 7248448, 7248449, 7248450, 7248451, 7248452, 7248453, 7248454, 7248455, 7248456, 7248457, 7248458, 7248459, 7248460, 7248461, 7248462, 7248463, 7248464, 7248465, 7248466, 7248467, 7248468, 7248469, 7248470, 7248471, 7248472, 7248473, 7248474, 7248475, 7248476, 7248477, 7248478, 7248479, 7248480, 7248481, 7248482, 7248483, 7248484, 7248485, 7248486, 7248487, 7248488, 7248489, 7248490, 7248491, 7248492, 7248493 Original log message: Adding full bibliography for 7248441--7248493.cif. |
7248458.cif |
| 291276 | 2024-04-19 | cif/ Adding structures of 7248441, 7248442, 7248443, 7248444, 7248445, 7248446, 7248447, 7248448, 7248449, 7248450, 7248451, 7248452, 7248453, 7248454, 7248455, 7248456, 7248457, 7248458, 7248459, 7248460, 7248461, 7248462, 7248463, 7248464, 7248465, 7248466, 7248467, 7248468, 7248469, 7248470, 7248471, 7248472, 7248473, 7248474, 7248475, 7248476, 7248477, 7248478, 7248479, 7248480, 7248481, 7248482, 7248483, 7248484, 7248485, 7248486, 7248487, 7248488, 7248489, 7248490, 7248491, 7248492, 7248493 via cif-deposit CGI script. |
7248458.cif |
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Users of the data should acknowledge the original authors of the
structural data.