Information card for entry 4024702

Structure parameters

• Formula: C16 H21 O5 P
• Calculated formula: C16 H21 O5 P
• SMILES: P1(=O)(OCC(CO1)(C)C)/C(=C\1Oc2c(C(O)C1)cccc2)C
• 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: 30.604 ± 0.006 Å
• b: 9.531 ± 0.0019 Å
• c: 11.84 ± 0.002 Å
• α: 90°
• β: 109.73 ± 0.03°
• γ: 90°
• Cell volume: 3251 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No