Information card for entry 1512049

Structure parameters

• Formula: C24 H27 N O5 S
• Calculated formula: C24 H27 N O5 S
• SMILES: c1(S(=O)(=O)N(CC(O)c2ccccc2)Cc2ccc(OC)c(OC)c2)ccc(cc1)C
• Title of publication: A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.
• Authors of publication: Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2628 - 2631
• a: 20.4458 ± 0.0019 Å
• b: 8.6442 ± 0.0007 Å
• c: 27.52 ± 0.002 Å
• α: 90°
• β: 110.55 ± 0.002°
• γ: 90°
• Cell volume: 4554.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No