Information card for entry 1555786

Structure parameters

• Formula: C32 H29 N O6 S
• Calculated formula: C32 H29 N O6 S
• SMILES: S(=O)(=O)(N(C1=C(C(Oc2c1cc1OCOc1c2)c1ccc(OC)cc1)C)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: AlCl₃-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.
• Authors of publication: Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 5022 - 5025
• a: 11.089 ± 0.002 Å
• b: 21.075 ± 0.004 Å
• c: 12.128 ± 0.002 Å
• α: 90°
• β: 97.24 ± 0.03°
• γ: 90°
• Cell volume: 2811.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No