Information card for entry 7108836

Structure parameters

• Formula: C48 H42 Br4 N4 O10 S2
• Calculated formula: C48 H42 Br4 N4 O10 S2
• Title of publication: 3-Bromooxindoles as nucleophiles in asymmetric organocatalytic Mannich reactions with N-Ts-imines
• Authors of publication: Jianhao Li; Taiping Du; Gang Zhang; Yungui Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 1330 - 1332
• a: 10.6545 ± 0.0013 Å
• b: 20.649 ± 0.003 Å
• c: 13.3304 ± 0.0016 Å
• α: 90°
• β: 99.311 ± 0.002°
• γ: 90°
• Cell volume: 2894.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No