Information card for entry 1511900

Structure parameters

• Formula: C28 H25 O4 P
• Calculated formula: C28 H25 O4 P
• SMILES: P(=O)(O/C(=C(CC)\c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Stereoselective Synthesis of All-Carbon Tetrasubstituted Alkenes from In Situ Generated Ketenes and Organometallic Reagents
• Authors of publication: You, Wei; Li, Yan; Brown, M. Kevin
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1610
• a: 5.7391 ± 0.0003 Å
• b: 11.1115 ± 0.0006 Å
• c: 18.7773 ± 0.001 Å
• α: 79.448 ± 0.003°
• β: 83.65 ± 0.002°
• γ: 87.656 ± 0.002°
• Cell volume: 1169.7 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No