Information card for entry 7135083

Structure parameters

• Chemical name: 2-(2-(tert-butyl)phenyl)-3a,4,5,9b-tetrahydro-1H-benzo[e]isoindole-1,3(2H)-dione
• Formula: C22 H23 N O2
• Calculated formula: C22 H23 N O2
• Title of publication: Use of tailored boronic acids both as a radical donor and acceptor in a visible light-mediated di-functionalization of maleimides: rapid access to fused benzo[<i>e</i>]isoindole-1,3-diones.
• Authors of publication: Manna, Sabyasachi; Sreedhara, Rahul Halanuru; Punesh, Thanay Umesh; Prabhu, Kandikere Ramaiah
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 90
• Pages of publication: 17669 - 17672
• a: 8.541 ± 0.0004 Å
• b: 12.2915 ± 0.0005 Å
• c: 17.0269 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1787.51 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No