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Information card for entry 1573780
Preview
| Coordinates | 1573780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 N2 O2 S |
|---|---|
| Calculated formula | C17 H18 N2 O2 S |
| Title of publication | Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes. |
| Authors of publication | Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank |
| Journal of publication | Chemical science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 9 |
| Pages of publication | 4006 - 4013 |
| a | 6.0084 ± 0.0001 Å |
| b | 9.2515 ± 0.0002 Å |
| c | 15.0308 ± 0.0003 Å |
| α | 102.542 ± 0.001° |
| β | 99.903 ± 0.001° |
| γ | 102.191 ± 0.001° |
| Cell volume | 776.13 ± 0.03 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298155 (current) | 2025-03-04 | cif/ Updating files of 1573780, 1573781, 1573782 Original log message: Adding full bibliography for 1573780--1573782.cif. |
1573780.cif |
| 297479 | 2025-01-28 | cif/ Adding structures of 1573780, 1573781, 1573782 via cif-deposit CGI script. |
1573780.cif |
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Users of the data should acknowledge the original authors of the
structural data.