Information card for entry 4516684

Structure parameters

• Formula: C35 H28 Cl2 N2 O4 S
• Calculated formula: C35 H28 Cl2 N2 O4 S
• Title of publication: Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction
• Authors of publication: Gao, Yuning; Xu, Qin; Shi, Min
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 6608
• a: 11.9029 ± 0.001 Å
• b: 15.3015 ± 0.0013 Å
• c: 19.0001 ± 0.0016 Å
• α: 85.692 ± 0.002°
• β: 79.538 ± 0.002°
• γ: 67.684 ± 0.002°
• Cell volume: 3148.1 ± 0.5 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: 0.1284
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No