Information card for entry 7226070

Structure parameters

• Formula: C10 H15 N O S
• Calculated formula: C10 H15 N O S
• Title of publication: Thionation reactions of 2-pyrrole carboxylates
• Authors of publication: Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 74
• Pages of publication: 69691
• a: 7.215 ± 0.002 Å
• b: 8.581 ± 0.003 Å
• c: 9.903 ± 0.002 Å
• α: 103.094 ± 0.009°
• β: 93.329 ± 0.0016°
• γ: 112.892 ± 0.009°
• Cell volume: 542.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No