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Information card for entry 7134814
Preview
| Coordinates | 7134814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N2 O5 |
|---|---|
| Calculated formula | C18 H22 N2 O5 |
| Title of publication | Switchable synthesis of benzimidazoles/quinoxalines C-glycoside with o-phenylenediamines and sulfoxonium ylide glyco-reagents |
| Authors of publication | Liu, Deng-Yin; Hu, Xin-Yue; Zhang, Cong-Zhen; Wen, Miao-Miao; Ren, Xiao-Xi; Liu, Xu-Ge |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 9.1504 ± 0.0004 Å |
| b | 19.6553 ± 0.0006 Å |
| c | 9.7569 ± 0.0004 Å |
| α | 90° |
| β | 102.207 ± 0.004° |
| γ | 90° |
| Cell volume | 1715.14 ± 0.12 Å3 |
| Cell temperature | 170 ± 0.1 K |
| Ambient diffraction temperature | 170 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301202 (current) | 2025-07-08 | cif/ Adding structures of 7134814 via cif-deposit CGI script. |
7134814.cif |
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Users of the data should acknowledge the original authors of the
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