Information card for entry 1556719

Structure parameters

• Formula: C21 H19 N O S
• Calculated formula: C21 H19 N O S
• 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: 7.2702 ± 0.0008 Å
• b: 8.7819 ± 0.0009 Å
• c: 13.6782 ± 0.0008 Å
• α: 98.564 ± 0.007°
• β: 100.026 ± 0.007°
• γ: 104.633 ± 0.01°
• Cell volume: 814.84 ± 0.14 ų
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No