Information card for entry 7236210

Structure parameters

• Chemical name: Ethyl (1'S,2'S,3R)-1''-butyl-5''-methyl-2,2''-dioxo-1'-phenyl-1'',2'',5',6',7',7a'-hexahydro-1'H-dispiro[indoline-3,3'-pyrrolizine-2',3''-pyrrole]-4''-carboxylate
• Formula: C31 H35 N3 O4
• Calculated formula: C31 H35 N3 O4
• Title of publication: Three-component access to 2-pyrrolin-5-ones and their use in target-oriented and diversity-oriented synthesis
• Authors of publication: Cores, Ángel; Estévez, Verónica; Villacampa, Mercedes; Menéndez, J. Carlos
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 45
• Pages of publication: 39433
• a: 9.9204 ± 0.0004 Å
• b: 11.2869 ± 0.0004 Å
• c: 13.6057 ± 0.0006 Å
• α: 69.094 ± 0.003°
• β: 76.462 ± 0.003°
• γ: 77.265 ± 0.003°
• Cell volume: 1367.79 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.3169
• Weighted residual factors for all reflections included in the refinement: 0.3544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.957
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No