Information card for entry 4135577

Structure parameters

• Formula: C25 H22 O3 S2
• Calculated formula: C25 H21.1 O3 S2
• Title of publication: Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.
• Authors of publication: Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 2
• Pages of publication: 1216 - 1223
• a: 10.0613 ± 0.0011 Å
• b: 10.9059 ± 0.0013 Å
• c: 20.821 ± 0.002 Å
• α: 93.349 ± 0.004°
• β: 90.495 ± 0.003°
• γ: 109.075 ± 0.003°
• Cell volume: 2154.6 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No