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Information card for entry 7129191
Preview
| Coordinates | 7129191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.16 H1.68 N0.24 O0.96 |
|---|---|
| Calculated formula | C2.16 H1.68 N0.24 O0.96 |
| Title of publication | TBN-triggered, manipulable annulations of o-hydroxyarylenaminones for divergent syntheses of oximinochromanones and oximinocoumaranones |
| Authors of publication | Qian, Yu-En; Zheng, Lan; Zhao, Qing-Lan; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 16.265 ± 0.003 Å |
| b | 12.684 ± 0.002 Å |
| c | 12.3063 ± 0.0018 Å |
| α | 90° |
| β | 100.784 ± 0.006° |
| γ | 90° |
| Cell volume | 2494 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270271 (current) | 2021-11-04 | cif/ Adding structures of 7129191 via cif-deposit CGI script. |
7129191.cif |
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