Information card for entry 1575775

Structure parameters

• Common name: indoline-1-carbonyl fluoride
• Chemical name: indoline-1-carbonyl fluoride
• Formula: C36 H32 F4 N4 O4
• Calculated formula: C36 H32 F4 N4 O4
• Title of publication: A visible-light-mediated decarboxylative umpolung strategy to access carbamoyl/acyl fluorides in a buffer medium: expedient access to unsymmetrical ureas/amides and lysine-selective bioconjugation
• Authors of publication: Das, Subhodeep; Das, Supriyo; Rahaman, Sk Abdur; Mandal, Sourav; Jana, Ranjan
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 42
• Pages of publication: 13268 - 13280
• a: 7.5098 ± 0.0006 Å
• b: 12.5763 ± 0.0011 Å
• c: 8.5526 ± 0.0007 Å
• α: 90°
• β: 112.989 ± 0.002°
• γ: 90°
• Cell volume: 743.6 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No