Information card for entry 7154812

Structure parameters

• Formula: C20 H23 O P
• Calculated formula: C20 H23 O P
• SMILES: P1(=O)(c2c(cccc2)C(C)(C)C=C1CCC)c1ccccc1
• Title of publication: Synthesis of 1,4-dihydrophosphinoline 1-oxides by acid-promoted cyclization of 1-(diphenylphosphoryl)allenes.
• Authors of publication: Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1370 - 1381
• a: 16.2077 ± 0.0003 Å
• b: 8.43855 ± 0.00016 Å
• c: 12.5611 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.98 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No