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Information card for entry 7123500
Preview
| Coordinates | 7123500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H27 F3 N2 O4 S |
|---|---|
| Calculated formula | C31 H27 F3 N2 O4 S |
| Title of publication | Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs |
| Authors of publication | Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 9.4555 ± 0.0015 Å |
| b | 12.671 ± 0.002 Å |
| c | 13.141 ± 0.002 Å |
| α | 89.372 ± 0.007° |
| β | 83.024 ± 0.008° |
| γ | 70.301 ± 0.007° |
| Cell volume | 1470.6 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2602 |
| Residual factor for significantly intense reflections | 0.169 |
| Weighted residual factors for significantly intense reflections | 0.4462 |
| Weighted residual factors for all reflections included in the refinement | 0.4905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.644 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215334 (current) | 2019-05-21 | cif/ Adding structures of 7123498, 7123499, 7123500, 7123501, 7123502 via cif-deposit CGI script. |
7123500.cif |
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Users of the data should acknowledge the original authors of the
structural data.