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Information card for entry 7135118
Preview
| Coordinates | 7135118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H28 O3 |
|---|---|
| Calculated formula | C25 H28 O3 |
| Title of publication | CuH-Catalyzed Stereoselective Desymmetrization of Prochiral Cyclopentane-1,3-diones via Alkoxyallylation |
| Authors of publication | Maurya, Sundaram; Patil, Vaibhav B.; Raghu Ramudu, G.; Amrutkar, Virendra S.; Mendapara, Yash G.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.4261 ± 0.0004 Å |
| b | 11.7773 ± 0.0006 Å |
| c | 11.2319 ± 0.0006 Å |
| α | 90° |
| β | 107.842 ± 0.0017° |
| γ | 90° |
| Cell volume | 1061.01 ± 0.09 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303076 (current) | 2025-10-29 | cif/ Adding structures of 7135117, 7135118 via cif-deposit CGI script. |
7135118.cif |
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Users of the data should acknowledge the original authors of the
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