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Information card for entry 7131009
Preview
| Coordinates | 7131009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 O2 |
|---|---|
| Calculated formula | C11 H10 O2 |
| SMILES | O1C(=O)c2c(C1C1CC1)cccc2 |
| Title of publication | Iron/photoredox dual catalysis for acyl nitrene-based C–O bond formation towards phthalides |
| Authors of publication | Zhang, Zhide; Deng, Yangling; Hou, Ming; Lai, Xiaojing; Guan, Meng; Zhang, Fengzhi; Qi, Rui; Qiu, Guanyinsheng |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 9.6676 ± 0.001 Å |
| b | 7.8965 ± 0.0008 Å |
| c | 12.2576 ± 0.001 Å |
| α | 90° |
| β | 95.669 ± 0.008° |
| γ | 90° |
| Cell volume | 931.17 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0885 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279441 (current) | 2022-11-22 | cif/ Adding structures of 7131009 via cif-deposit CGI script. |
7131009.cif |
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Users of the data should acknowledge the original authors of the
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