Information card for entry 7157502

Structure parameters

• Formula: C26 H24 N2 O2 S
• Calculated formula: C26 H24 N2 O2 S
• Title of publication: Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.
• Authors of publication: Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4169 - 4173
• a: 9.3559 ± 0.0002 Å
• b: 9.3559 ± 0.0002 Å
• c: 60.611 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5305.5 ± 0.3 ų
• Cell temperature: 292.01 ± 0.1 K
• Ambient diffraction temperature: 292.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No