Information card for entry 7157147

Structure parameters

• Chemical name: 28
• Formula: C25 H24 N2 O2 S
• Calculated formula: C25 H24 N2 O2 S
• Title of publication: cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.
• Authors of publication: Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 9510
• a: 9.0518 ± 0.0004 Å
• b: 12.1315 ± 0.0005 Å
• c: 18.9731 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2083.47 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No