Information card for entry 7152786

Structure parameters

• Formula: C22 H25 Cl2 I N3 O3 P
• Calculated formula: C22 H25 Cl2 I N3 O3 P
• Title of publication: A concise synthesis of 4-imino-3,4-dihydroquinazolin-2-ylphosphonates via a palladium-catalyzed reaction of carbodiimide, isocyanide, and phosphite.
• Authors of publication: Qiu, Guanyinsheng; Lu, Yuan; Wu, Jie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 798 - 802
• a: 17.266 ± 0.014 Å
• b: 8.92 ± 0.007 Å
• c: 16.576 ± 0.013 Å
• α: 90°
• β: 97.576 ± 0.01°
• γ: 90°
• Cell volume: 2531 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0736
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No