Information card for entry 7227501

Structure parameters

• Formula: C24 H23 N O3 S
• Calculated formula: C24 H23 N O3 S
• SMILES: c1ccccc1C(=C)[C@@H]1CO[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(cc1)C.c1ccccc1C(=C)[C@H]1CO[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(cc1)C
• Title of publication: Palladium-catalyzed three-component tandem cyclization of buta-2,3-dien-1-ol, aryl iodides, and imines: an efficient protocol for the synthesis of oxazolidine derivatives
• Authors of publication: Hou, Yunlei; Qin, Mingze; Yang, Xiuxiu; Shen, Qi; Zhao, Yanfang; Liu, Yajing; Gong, Ping
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 7401
• a: 9.7939 ± 0.0015 Å
• b: 10.1887 ± 0.0017 Å
• c: 12.694 ± 0.002 Å
• α: 112.876 ± 0.005°
• β: 93.064 ± 0.005°
• γ: 111.984 ± 0.004°
• Cell volume: 1052.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0665
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No