Information card for entry 7152569

Structure parameters

• Formula: C33 H30 Cl2 N2 O5 S2
• Calculated formula: C33 H30 Cl2 N2 O5 S2
• Title of publication: New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.
• Authors of publication: Yang, Yuan-Liang; Wei, Yin; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 7429 - 7438
• a: 9.0943 ± 0.001 Å
• b: 11.3949 ± 0.0012 Å
• c: 16.064 ± 0.0018 Å
• α: 90.442 ± 0.002°
• β: 97.86 ± 0.002°
• γ: 94.117 ± 0.002°
• Cell volume: 1644.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No