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Information card for entry 7123604
Preview
| Coordinates | 7123604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C335 H448.5 F36 N17.5 O36 P6 |
|---|---|
| Calculated formula | C315 H418.5 F36 N7.5 O36 P6 |
| 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 | 21.4227 ± 0.001 Å |
| b | 25.9716 ± 0.0016 Å |
| c | 31.1544 ± 0.0013 Å |
| α | 74.34 ± 0.005° |
| β | 82.06 ± 0.004° |
| γ | 73.651 ± 0.005° |
| Cell volume | 15979.2 ± 1.5 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 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 | 0.2449 |
| Residual factor for significantly intense reflections | 0.1503 |
| Weighted residual factors for significantly intense reflections | 0.3735 |
| Weighted residual factors for all reflections included in the refinement | 0.4754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| 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. |
7123604.cif |
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Users of the data should acknowledge the original authors of the
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