Information card for entry 7154222

Structure parameters

• Formula: C20 H18 O P
• Calculated formula: C20 H21 O P
• SMILES: P1(=O)(c2ccccc2C2(C=C1)CCCCC2)c1ccccc1
• Title of publication: Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.
• Authors of publication: Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1333 - 1338
• a: 9.0477 ± 0.0002 Å
• b: 17.5321 ± 0.0004 Å
• c: 9.9229 ± 0.0002 Å
• α: 90°
• β: 93.056 ± 0.002°
• γ: 90°
• Cell volume: 1571.78 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No