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Information card for entry 7121874
Preview
| Coordinates | 7121874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H30 O4 |
|---|---|
| Calculated formula | C23 H30 O4 |
| Title of publication | Photoredox-promoted alkyl radical addition/semipinacol rearrangement sequences of alkenylcyclobutanols: rapid access to cyclic ketones. |
| Authors of publication | Yao, Sheng; Zhang, Kai; Zhou, Quan-Quan; Zhao, Yu; Shi, De-Qing; Xiao, Wen-Jing |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 58 |
| Pages of publication | 8096 - 8099 |
| a | 17.18 ± 0.04 Å |
| b | 6.536 ± 0.015 Å |
| c | 17.28 ± 0.04 Å |
| α | 90° |
| β | 91.34 ± 0.04° |
| γ | 90° |
| Cell volume | 1940 ± 8 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
7121874.cif |
| 228113 | 2019-11-17 | cif/ Updating files of 7121874 Original log message: Adding full bibliography for 7121874.cif. |
7121874.cif |
| 208636 | 2018-06-26 | cif/ Adding structures of 7121874 via cif-deposit CGI script. |
7121874.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.