Information card for entry 4106427

Structure parameters

• Formula: C37.5 H28 Br Cl N4 O6
• Calculated formula: C37.5 H28 Br Cl N4 O6
• Title of publication: Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines
• Authors of publication: Sunkyu Han; Mohammad Movassaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10768 - 10771
• a: 41.6761 ± 0.0019 Å
• b: 7.7113 ± 0.0003 Å
• c: 10.0688 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3235.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No