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Information card for entry 7122225
Preview
| Coordinates | 7122225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H31 N O6 S |
|---|---|
| Calculated formula | C34 H31 N O6 S |
| Title of publication | Asymmetric synthesis of polysubstituted methylenecyclobutanes via catalytic [2+2] cycloaddition reactions of N-allenamides. |
| Authors of publication | Zhong, Xia; Tang, Qiong; Zhou, Pengfei; Zhong, Ziwei; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 74 |
| Pages of publication | 10511 - 10514 |
| a | 11.5709 ± 0.0007 Å |
| b | 7.9832 ± 0.0004 Å |
| c | 17.4107 ± 0.0011 Å |
| α | 90° |
| β | 105.455 ± 0.006° |
| γ | 90° |
| Cell volume | 1550.12 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0887 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122225.cif |
| 228199 | 2019-11-17 | cif/ Updating files of 7122225, 7122226 Original log message: Adding full bibliography for 7122225--7122226.cif. |
7122225.cif |
| 210097 | 2018-08-24 | cif/ Adding structures of 7122225, 7122226 via cif-deposit CGI script. |
7122225.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.