Information card for entry 1570216

Structure parameters

• Formula: C20 H16 Br O3 P S
• Calculated formula: C20 H16 Br O3 P S
• Title of publication: Gold-catalyzed alkenylation and arylation of phosphorothioates.
• Authors of publication: Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 45
• Pages of publication: 13134 - 13139
• a: 6.1164 ± 0.0002 Å
• b: 8.8641 ± 0.0003 Å
• c: 34.4839 ± 0.0011 Å
• α: 90°
• β: 90.615 ± 0.001°
• γ: 90°
• Cell volume: 1869.48 ± 0.11 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No