Information card for entry 4023152

Structure parameters

• Formula: C27 H27 N O5
• Calculated formula: C27 H27 N O5
• Title of publication: Examination of Homo-[3 + 2]-Dipolar Cycloaddition: Mechanistic Insight into Regio- and Diastereoselectivity
• Authors of publication: Avedis Karadeolian; Michael A. Kerr
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 10251 - 10253
• a: 20.505 ± 0.0008 Å
• b: 12.7125 ± 0.0004 Å
• c: 19.7289 ± 0.0006 Å
• α: 90°
• β: 115.362 ± 0.002°
• γ: 90°
• Cell volume: 4647.1 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No