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Information card for entry 7122226
Preview
| Coordinates | 7122226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H49 N O7 S Si |
|---|---|
| Calculated formula | C42 H49 N O7 S Si |
| 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 | 14.938 ± 0.0002 Å |
| b | 19.9785 ± 0.0003 Å |
| c | 13.3618 ± 0.0002 Å |
| α | 90° |
| β | 97.025 ± 0.001° |
| γ | 90° |
| Cell volume | 3957.74 ± 0.1 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7122226.cif |
| 228199 | 2019-11-17 | cif/ Updating files of 7122225, 7122226 Original log message: Adding full bibliography for 7122225--7122226.cif. |
7122226.cif |
| 210097 | 2018-08-24 | cif/ Adding structures of 7122225, 7122226 via cif-deposit CGI script. |
7122226.cif |
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Users of the data should acknowledge the original authors of the
structural data.