Information card for entry 4107681

Structure parameters

• Formula: C68 H66 N8 O12
• Calculated formula: C68 H66 N8 O12
• Title of publication: Cobalt-Catalyzed Asymmetric Cyclopropanation with Diazosulfones: Rigidification and Polarization of Ligand Chiral Environment via Hydrogen Bonding and Cyclization
• Authors of publication: Shifa Zhu; Joshua V. Ruppel; Hongjian Lu; Lukasz Wojtas; X. Peter Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5042 - 5043
• a: 10.3608 ± 0.0019 Å
• b: 25.392 ± 0.005 Å
• c: 22.38 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5887.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No