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Information card for entry 7160630
Preview
| Coordinates | 7160630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H78 N2 O8 |
|---|---|
| Calculated formula | C90 H78 N2 O8 |
| Title of publication | Convenient one-step construction of fused or zwitterionic indanes from tetraynes. |
| Authors of publication | Liu, Chencheng; Tong, Yao; Wang, Fenhua; Li, Qinghai |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 20 |
| Pages of publication | 4909 - 4916 |
| a | 22.9592 ± 0.0009 Å |
| b | 9.5176 ± 0.0004 Å |
| c | 33.7688 ± 0.0013 Å |
| α | 90° |
| β | 100.575 ± 0.002° |
| γ | 90° |
| Cell volume | 7253.7 ± 0.5 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| 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 | 0.1322 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300380 (current) | 2025-07-06 | cif/ Adding structures of 7160630, 7160631 via cif-deposit CGI script. |
7160630.cif |
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Users of the data should acknowledge the original authors of the
structural data.