Information card for entry 4024703

Structure parameters

• Formula: C16 H19 O4 P
• Calculated formula: C16 H19 O4 P
• Title of publication: Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes
• Authors of publication: N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5395 - 5404
• a: 20.99 ± 0.004 Å
• b: 7.0721 ± 0.0014 Å
• c: 10.64 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1579.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No