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Information card for entry 7239416
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| Coordinates | 7239416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 F12 N O2 |
|---|---|
| Calculated formula | C20 H25 F12 N O2 |
| Title of publication | An anion-binding fluorinated alcohol isophthalamide isostere |
| Authors of publication | Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A. |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | 5389 |
| a | 7.7525 ± 0.0006 Å |
| b | 14.2782 ± 0.001 Å |
| c | 10.7005 ± 0.0008 Å |
| α | 90° |
| β | 107.11 ± 0.007° |
| γ | 90° |
| Cell volume | 1132.03 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244692 (current) | 2019-11-28 | cif/ Adding structures of 7239415, 7239416, 7239417 via cif-deposit CGI script. |
7239416.cif |
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Users of the data should acknowledge the original authors of the
structural data.