Information card for entry 2230867

Structure parameters

• Chemical name: 5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione
• Formula: C16 H12 F N O3
• Calculated formula: C16 H12 F N O3
• SMILES: Fc1cc2C(=O)C(=O)N(Cc3ccc(OC)cc3)c2cc1
• Title of publication: 5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione
• Authors of publication: Wu, Weiyao; Lin, Huihui; Wan, Chong-Qing; Cao, Sheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1834
• a: 17.779 ± 0.004 Å
• b: 7.1575 ± 0.0014 Å
• c: 21.306 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2711.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes