Information card for entry 7230969

Structure parameters

• Formula: C19 H22 N4 O5 S
• Calculated formula: C19 H22 N4 O5 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: 8.1029 ± 0.0009 Å
• b: 31.573 ± 0.003 Å
• c: 8.6015 ± 0.0008 Å
• α: 90°
• β: 101.122 ± 0.003°
• γ: 90°
• Cell volume: 2159.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No