Information card for entry 2237371

Structure parameters

• Chemical name: 3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene- 1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione
• Formula: C33 H25 F2 N O2
• Calculated formula: C33 H25 F2 N O2
• SMILES: Fc1c(/C=C\2C(=O)[C@]3(CC2)[C@H](CN([C@]23C(=O)c3c4c2cccc4ccc3)C)c2ccccc2F)cccc1.Fc1c(/C=C\2C(=O)[C@@]3(CC2)[C@@H](CN([C@@]23C(=O)c3c4c2cccc4ccc3)C)c2ccccc2F)cccc1
• Title of publication: 3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione
• Authors of publication: Chen, Gao-Zhi; Wei, Xiao-Yan; Wang, Yi; Ren, Lu-Qing; Li, Xiao-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o249 - o250
• a: 17.728 ± 0.013 Å
• b: 12.272 ± 0.009 Å
• c: 12.094 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No