Information card for entry 7230975

Structure parameters

• Formula: C25 H24 N4 O4 S
• Calculated formula: C25 H24 N4 O4 S
• Title of publication: Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters
• Authors of publication: Sun, Jing; Zhang, Yu; Yan, Chao-Guo
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 40
• Pages of publication: 22498
• a: 18.926 ± 0.003 Å
• b: 9.4145 ± 0.0014 Å
• c: 15.008 ± 0.003 Å
• α: 90°
• β: 112.887 ± 0.005°
• γ: 90°
• Cell volume: 2463.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No