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Information card for entry 4513983
Preview
| Coordinates | 4513983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60.38 H57 Cl1.75 N4 O9 |
|---|---|
| Calculated formula | C60.375 H57 Cl1.75 N4 O9 |
| Title of publication | Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes |
| Authors of publication | Ma, Chao; Huang, Yuan; Zhao, Yu |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 6408 |
| a | 33.03 ± 0.003 Å |
| b | 14.5141 ± 0.0015 Å |
| c | 23.743 ± 0.002 Å |
| α | 90° |
| β | 106.097 ± 0.002° |
| γ | 90° |
| Cell volume | 10936.1 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1833 |
| Weighted residual factors for all reflections included in the refinement | 0.1982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187792 (current) | 2016-11-04 | cif/ Adding structures of 4513983 via cif-deposit CGI script. |
4513983.cif |
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Users of the data should acknowledge the original authors of the
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