Information card for entry 7125198

Structure parameters

• Common name: 8ah
• Chemical name: rac-(4S,5aS,10bS)-5-benzyl-4-(tert-butyl)-1,2,4,5,5a,6-hexahydropyrrolo[3',2':3,4]pyrrolo[2,3-b]indole
• Formula: C23 H27 N3
• Calculated formula: C23 H27 N3
• Title of publication: Synthesis of polycyclic spiroindolines by highly diastereoselective interrupted Ugi cascade reactions of 3-(2-isocyanoethyl)indoles.
• Authors of publication: Saya, Jordy M.; Oppelaar, Barry; Cioc, Răzvan C; van der Heijden, Gydo; Vande Velde, Christophe M. L.; Orru, Romano V. A.; Ruijter, Eelco
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12482 - 12485
• a: 12.0143 ± 0.0003 Å
• b: 8.3594 ± 0.0002 Å
• c: 19.0526 ± 0.0005 Å
• α: 90°
• β: 90.316 ± 0.002°
• γ: 90°
• Cell volume: 1913.47 ± 0.08 ų
• Cell temperature: 104 ± 4 K
• Ambient diffraction temperature: 104 ± 4 K
• Number of distinct elements: 3
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No