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Information card for entry 4035641
Preview
| Coordinates | 4035641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H51 N9 O12 |
|---|---|
| Calculated formula | C64 H51 N9 O12 |
| Title of publication | Cross-Coupling Approach to an Array of Macrocyclic Receptors Functioning as Chiral Solvating Agents. |
| Authors of publication | Ema, Tadashi; Yamasaki, Takayuki; Watanabe, Sagiri; Hiyoshi, Mahoko; Takaishi, Kazuto |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 18 |
| Pages of publication | 10762 - 10769 |
| a | 14.274 ± 0.004 Å |
| b | 14.345 ± 0.004 Å |
| c | 27.42 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5615 ± 3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227090 (current) | 2019-11-11 | cif/ Adding structures of 4035641 via cif-deposit CGI script. |
4035641.cif |
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Users of the data should acknowledge the original authors of the
structural data.