Information card for entry 7061947

Structure parameters

• Chemical name: 4''-((E)-4-fluorobenzylidene)-1'-(4-fluorophenyl)-5-nitro-1'',4'',5',6',7',7a'-hexahydro-1'H,3''H-dispiro[indoline-3,3'-pyrrolizine-2',2''-naphthalene]-2,3''-dione
• Formula: C38 H31 F2 N3 O5
• Calculated formula: C38 H31 F2 N3 O5
• Title of publication: Chemoselective and diastereodivergent synthesis of new spirooxindolo-pyrrolizidines and pyrrolidines stemming from unsymmetrical 1,3-bis(arylidene)tetral-2-ones: a combined experimental and theoretical study
• Authors of publication: Gazzeh, Houda; Rouatbi, Fadwa; Chniti, Sami; Askri, Moheddine; Knorr, Michael; Strohmann, Carsten; Golz, Christopher; Lamsabhi, Al Mokhtar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 19198 - 19212
• a: 8.244 ± 0.004 Å
• b: 12.956 ± 0.006 Å
• c: 15.359 ± 0.008 Å
• α: 75.195 ± 0.019°
• β: 80.54 ± 0.02°
• γ: 77.813 ± 0.017°
• Cell volume: 1539.7 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.067
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No