Information card for entry 7135749

Structure parameters

• Formula: C32 H22 Br N O2 S
• Calculated formula: C32 H22 Br N O2 S
• Title of publication: Organocatalytic asymmetric [4 + 4]-annulation reaction between ynones and benzylidene thiazolones: Synthesis of eight-membered ether containing 4,5-fused thiazoles
• Authors of publication: Barman, Dipankar; Pan, Subhas Chandra
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.475 ± 0.006 Å
• b: 11.186 ± 0.007 Å
• c: 13.604 ± 0.009 Å
• α: 90°
• β: 107.221 ± 0.019°
• γ: 90°
• Cell volume: 1377.2 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No