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Information card for entry 7123602
Preview
| Coordinates | 7123602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H140 F6 N O12 P |
|---|---|
| Calculated formula | C104 H140 F6 N O12 P1.0005 |
| 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 | 34.8683 ± 0.0005 Å |
| b | 17.74684 ± 0.00015 Å |
| c | 35.1729 ± 0.0005 Å |
| α | 90° |
| β | 118.533 ± 0.002° |
| γ | 90° |
| Cell volume | 19121.5 ± 0.6 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.1113 |
| Residual factor for significantly intense reflections | 0.0948 |
| Weighted residual factors for significantly intense reflections | 0.2741 |
| Weighted residual factors for all reflections included in the refinement | 0.296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7123602.cif |
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Users of the data should acknowledge the original authors of the
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