Information card for entry 7238683

Structure parameters

• Formula: C23 H21 Br N O2 P S
• Calculated formula: C23 H21 Br N O2 P S
• Title of publication: Organocatalytic domino reaction of salicyl N-thiophosphoryl imines and methyl vinyl ketone initiated by an aza-MBH reaction with bifunctional phosphine catalysts
• Authors of publication: Meng, Xiangtai; Xie, Peizhong; Huang, You; Chen, Ruyu
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 8104
• a: 17.142 ± 0.004 Å
• b: 14.596 ± 0.003 Å
• c: 18.909 ± 0.004 Å
• α: 90°
• β: 111.326 ± 0.004°
• γ: 90°
• Cell volume: 4407.2 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No