Information card for entry 7230967

Structure parameters

• Formula: C15 H16 N4 O4 S2
• Calculated formula: C15 H16 N4 O4 S2
• 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: 8.2173 ± 0.0008 Å
• b: 8.3786 ± 0.0009 Å
• c: 14.5475 ± 0.0015 Å
• α: 92.588 ± 0.004°
• β: 103.511 ± 0.003°
• γ: 103.084 ± 0.003°
• Cell volume: 943.49 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No