Information card for entry 7245383

Structure parameters

• Chemical name: (1'R,2'S,3R)-2'-(benzo[d][1,3]dioxole-5-carbonyl)-1'-(3-fluorophenyl)-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one
• Formula: C28 H23 F N2 O4
• Calculated formula: C28 H23 F N2 O4
• SMILES: O=C1Nc2c([C@@]31N1[C@H]([C@@H]([C@H]3C(=O)c3cc4OCOc4cc3)c3cccc(F)c3)CCC1)cccc2.O=C1Nc2c([C@]31N1[C@@H]([C@H]([C@@H]3C(=O)c3cc4OCOc4cc3)c3cccc(F)c3)CCC1)cccc2
• Title of publication: Benzodioxole grafted spirooxindole pyrrolidinyl derivatives: synthesis, characterization, molecular docking and anti-diabetic activity
• Authors of publication: Nivetha, Narayanasamy; Martiz, Reshma Mary; Patil, Shashank M.; Ramu, Ramith; Sreenivasa, Swamy; Velmathi, Sivan
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 24192 - 24207
• a: 9.978 ± 0.0011 Å
• b: 10.7417 ± 0.0012 Å
• c: 12.4901 ± 0.0014 Å
• α: 104.108 ± 0.007°
• β: 91.854 ± 0.007°
• γ: 117.657 ± 0.008°
• Cell volume: 1133.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0618
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No