Information card for entry 4108093

Structure parameters

• Formula: C33 H36 N2 O6
• Calculated formula: C33 H36 N2 O6
• Title of publication: Synthesis of Azepines by a Gold-Catalyzed Intermolecular [4 + 3]-Annulation
• Authors of publication: Nathan D. Shapiro; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9244 - 9245
• a: 10.009 ± 0.001 Å
• b: 11.164 ± 0.001 Å
• c: 14.152 ± 0.002 Å
• α: 91.177 ± 0.002°
• β: 108.735 ± 0.002°
• γ: 99.232 ± 0.002°
• Cell volume: 1473.8 ± 0.3 ų
• Cell temperature: 152.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.683
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No