Information card for entry 4024709

Structure parameters

• Formula: C19 H20 O2
• Calculated formula: C19 H20 O2
• SMILES: O(C(=C(C)C)/C=C/c1ccccc1)c1ccc(OC)cc1
• 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: 20.479 ± 0.004 Å
• b: 14.045 ± 0.003 Å
• c: 5.5773 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1604.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No