Information card for entry 4023234

Structure parameters

• Formula: C19 H17 I N4 O2
• Calculated formula: C19 H17 I N4 O2
• Title of publication: A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors
• Authors of publication: Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 931 - 939
• a: 10.5962 ± 0.0001 Å
• b: 7.6134 ± 0.0001 Å
• c: 44.5783 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3596.27 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No