Information card for entry 7156573

Structure parameters

• Formula: C27 H22 N4 O2 S
• Calculated formula: C27 H22 N4 O2 S
• Title of publication: Multicomponent dipolar cycloadditions: efficient synthesis of polycyclic fused pyrrolizidines via azomethine ylides.
• Authors of publication: Samala, Srinivas; Ryu, Do Hyun; Song, Choong Eui; Yoo, Eun Jeong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1773 - 1777
• a: 11.0331 ± 0.0007 Å
• b: 11.2615 ± 0.0007 Å
• c: 19.3004 ± 0.0013 Å
• α: 92.446 ± 0.002°
• β: 93.38 ± 0.002°
• γ: 111.994 ± 0.002°
• Cell volume: 2214.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No