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Information card for entry 7241243
Preview
| Coordinates | 7241243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H78 O9 S4 |
|---|---|
| Calculated formula | C74 H78 O9 S4 |
| Title of publication | Smart control of calixarene polymorphic states |
| Authors of publication | Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 14.8427 ± 0.0007 Å |
| b | 14.9332 ± 0.0007 Å |
| c | 17.2153 ± 0.0008 Å |
| α | 68.192 ± 0.001° |
| β | 81.105 ± 0.001° |
| γ | 74.912 ± 0.001° |
| Cell volume | 3413.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1597 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1867 |
| Weighted residual factors for all reflections included in the refinement | 0.2339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256444 (current) | 2020-09-16 | cif/ Adding structures of 7241241, 7241242, 7241243, 7241244 via cif-deposit CGI script. |
7241243.cif |
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Users of the data should acknowledge the original authors of the
structural data.