Information card for entry 4033918

Structure parameters

• Formula: C31 H24 N2 O5 S
• Calculated formula: C31 H24 N2 O5 S
• SMILES: S(=O)(=O)(N1[C@]2([C@@H](c3oc4c(c13)cccc4)c1ccccc1)C(=O)Nc1c2cc(OC)cc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@@]2([C@H](c3oc4c(c13)cccc4)c1ccccc1)C(=O)Nc1c2cc(OC)cc1)c1ccc(cc1)C
• Title of publication: Catalytic Asymmetric [4 + 1] Cyclization of Benzofuran-Derived Azadienes with 3-Chlorooxindoles.
• Authors of publication: Wang, Cong-Shuai; Li, Tian-Zhen; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3214 - 3222
• a: 9.8432 ± 0.0008 Å
• b: 10.4209 ± 0.0009 Å
• c: 14.3197 ± 0.0012 Å
• α: 83.441 ± 0.005°
• β: 74.668 ± 0.004°
• γ: 84.081 ± 0.005°
• Cell volume: 1403.2 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0515
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No