Information card for entry 7055902

Structure parameters

• Common name: RT-L4F
• Chemical name: 2'-(4-fluorophenyl)-1'-nitro-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-b]quinoxaline-11,3'-pyrrolizine]
• Formula: C27 H21 F N4 O2
• Calculated formula: C27 H21 F N4 O2
• SMILES: Fc1ccc([C@H]2[C@@]3(N4[C@@H]([C@@H]2N(=O)=O)CCC4)c2ccccc2c2nc4c(nc32)cccc4)cc1.Fc1ccc([C@@H]2[C@]3(N4[C@H]([C@H]2N(=O)=O)CCC4)c2ccccc2c2nc4c(nc32)cccc4)cc1
• Title of publication: An expedient microwave assisted regio- and stereoselective synthesis of spiroquinoxaline pyrrolizine derivatives and their AChE inhibitory activity
• Authors of publication: Akondi, Adinarayana Murthy; Mekala, Sowmya; Kantam, Mannepalli Lakshmi; Trivedi, Rajiv; Raju Chowhan, L.; Das, Amitava
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 873
• a: 9.4863 ± 0.0006 Å
• b: 10.0848 ± 0.0006 Å
• c: 13.3834 ± 0.0009 Å
• α: 110.202 ± 0.003°
• β: 91.71 ± 0.003°
• γ: 112.977 ± 0.002°
• Cell volume: 1085.99 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No