Information card for entry 7133787

Structure parameters

• Chemical name: Ethyl 5-amino-2,3-dihydro-[2,3'-bithiophene]-4-carboxylate
• Formula: C11 H13 N O2 S2
• Calculated formula: C11 H13 N O2 S2
• Title of publication: A Chromatographic Relay Conjugated Photoredox Strategy: S, Se- Pharmacophore from Alkenes via Formal [2+2+1] Heteroannulation
• Authors of publication: Maity, Soumitra; Hoque, Injamam Ul; Debnath, Saradindu; Lo, Rabindranath
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 5.7014 ± 0.0005 Å
• b: 9.6716 ± 0.0008 Å
• c: 21.86 ± 0.002 Å
• α: 90°
• β: 92.246 ± 0.007°
• γ: 90°
• Cell volume: 1204.47 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No