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Information card for entry 7226737
Preview
| Coordinates | 7226737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H58 Cl2 N8 O2 |
|---|---|
| Calculated formula | C61 H59 Cl1.98 N8 O2 |
| Title of publication | Pyridyl-phenylethynylene Bis-Urea Macrocycle: Self-assembly and Utility as a Nanoreactor for the Selective Photoreaction of Isoprene |
| Authors of publication | Salpage, Sahan R.; Xu, Yuewen; Som, Bozumeh; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.6662 ± 0.0004 Å |
| b | 18.89 ± 0.0008 Å |
| c | 14.4567 ± 0.0006 Å |
| α | 90° |
| β | 91.464 ± 0.001° |
| γ | 90° |
| Cell volume | 2638.85 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1066 |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for significantly intense reflections | 0.2161 |
| Weighted residual factors for all reflections included in the refinement | 0.241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187016 (current) | 2016-10-07 | cif/ Adding structures of 7226736, 7226737 via cif-deposit CGI script. |
7226737.cif |
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Users of the data should acknowledge the original authors of the
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