Information card for entry 4033762

Structure parameters

• Chemical name: 2-methyl-3'-(methylphenylphosphinoyl)-[1,2']binaphthalen
• Formula: C28 H23 O P
• Calculated formula: C28 H23 O P
• SMILES: c1c(c(cc2ccccc12)c1c(ccc2ccccc12)C)[P](=O)(c1ccccc1)C
• Title of publication: [4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.
• Authors of publication: Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1818 - 1832
• a: 8.151 ± 0.001 Å
• b: 11.163 ± 0.001 Å
• c: 12.884 ± 0.001 Å
• α: 92.9 ± 0.02°
• β: 108.43 ± 0.02°
• γ: 108.82 ± 0.02°
• Cell volume: 1037.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No