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Information card for entry 7123603
Preview
| Coordinates | 7123603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C234 H319 F24 N13 O24 P4 |
|---|---|
| Calculated formula | C234 H318.999 F24 N13 O24 P4 |
| Title of publication | Probing the Guest-Binding Preference of Three Structurally Similar and Conformationally Adaptive Macrocycles |
| Authors of publication | Chai, Hongxin; Pan, Zhi-Sheng; Yang, Liu-Pan; He, Shan; Pan, Fangfang; Rissanen, Kari; Jiang, Wei |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 17.6647 ± 0.0007 Å |
| b | 24.7902 ± 0.001 Å |
| c | 26.8978 ± 0.0011 Å |
| α | 76.681 ± 0.003° |
| β | 82.212 ± 0.003° |
| γ | 86.269 ± 0.003° |
| Cell volume | 11349.3 ± 0.8 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2346 |
| Residual factor for significantly intense reflections | 0.1109 |
| Weighted residual factors for significantly intense reflections | 0.269 |
| Weighted residual factors for all reflections included in the refinement | 0.3682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215734 (current) | 2019-06-07 | cif/ Adding structures of 7123602, 7123603, 7123604 via cif-deposit CGI script. |
7123603.cif |
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Users of the data should acknowledge the original authors of the
structural data.