Information card for entry 7232594

Structure parameters

• Chemical name: 1'S * ,2'S * ,3S * ,10b'S * ) - 1''-phenyl - 2'-( pyridin-2-yl )- 6',10b'-dihydro-2H,2'H,5'H-dispiro [acenaphthylene-1,3'-pyrrolo[2,1-a]isoquinoline-1',3''-pyrrolidine]-2,2'',5''-trione
• Formula: C37 H27 N3 O3
• Calculated formula: C37 H27 N3 O3
• Title of publication: Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides
• Authors of publication: Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 11082
• a: 11.7916 ± 0.0005 Å
• b: 9.7185 ± 0.0004 Å
• c: 24.5997 ± 0.001 Å
• α: 90°
• β: 91.888 ± 0.004°
• γ: 90°
• Cell volume: 2817.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No