Information card for entry 4101505

Structure parameters

• Formula: C15 H15 I O3
• Calculated formula: C15 I O3
• Title of publication: Enantioselective total synthesis of (+)- and (-)-nigellamine A2.
• Authors of publication: Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7428 - 7429
• a: 15.831 ± 0.007 Å
• b: 15.831 ± 0.004 Å
• c: 5.792 ± 0.0014 Å
• α: 90°
• β: 90 ± 0.003°
• γ: 120°
• Cell volume: 1257.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.654
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No