Information card for entry 1507433

Structure parameters

• Formula: C16 H14 N O3 S
• Calculated formula: C16 H14 N O3 S
• Title of publication: Novel Synthesis of 5,6-Dihydro-4H-thieno[3,2-b]pyrrol-5-ones via the Rhodium(II)-Mediated Wolff Rearrangement of 3-(Thieno-2-yl)-3-oxo-2-diazopropanoates
• Authors of publication: Lee, Dong Joon; Kim, Kyongtae; Park, Yung Ja
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 873
• a: 8.187 ± 0.002 Å
• b: 9.357 ± 0.003 Å
• c: 10.88 ± 0.003 Å
• α: 109.46 ± 0.02°
• β: 100.41 ± 0.02°
• γ: 106.86 ± 0.02°
• Cell volume: 715.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No