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Information card for entry 1556723
Preview
Coordinates | 1556723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H21 N O S |
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Calculated formula | C25 H21 N O S |
SMILES | C1(=C([C@]2(CC1=O)c1ccccc1N[C@@H]2C)c1ccccc1)Sc1ccccc1.C1(=C([C@@]2(CC1=O)c1ccccc1N[C@H]2C)c1ccccc1)Sc1ccccc1 |
Title of publication | Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones |
Authors of publication | Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 5 |
Pages of publication | 1353 - 1360 |
a | 8.7543 ± 0.0005 Å |
b | 9.971 ± 0.0006 Å |
c | 11.6327 ± 0.0006 Å |
α | 81.846 ± 0.004° |
β | 74.281 ± 0.005° |
γ | 81.076 ± 0.005° |
Cell volume | 960.27 ± 0.1 Å3 |
Cell temperature | 110.05 ± 0.1 K |
Ambient diffraction temperature | 110.05 ± 0.1 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 | 0.0334 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0808 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556723.html
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