Information card for entry 4025090

Structure parameters

• Formula: C36 H24 I2 N4 O2
• Calculated formula: C36 I2 N4 O2
• Title of publication: Efficient, Regioselective Access to Bicyclic Imidazo[1,2-x]- Heterocycles via Gold- and Base-Promoted Cyclization of 1-Alkynylimidazoles
• Authors of publication: Christophe Laroche; Sean M. Kerwin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 9229 - 9232
• a: 15.752 ± 0.005 Å
• b: 17.354 ± 0.005 Å
• c: 11.609 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.716 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3127.9 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.805
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No