Information card for entry 4120682

Structure parameters

• Formula: C17 H18 N2 O3 S
• Calculated formula: C17 H18 N2 O3 S
• Title of publication: Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.
• Authors of publication: Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 195 - 202
• a: 9.722 ± 0.0009 Å
• b: 16.2451 ± 0.0016 Å
• c: 21.645 ± 0.002 Å
• α: 98.61 ± 0.004°
• β: 100.124 ± 0.004°
• γ: 94.125 ± 0.004°
• Cell volume: 3310.4 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No