Information card for entry 7154228

Structure parameters

• Formula: C34 H37 O4.5 P2
• Calculated formula: C34 H37 O4.5 P2
• SMILES: P(=O)(C(=C\C(O)(C)C)/C(=C/C(O)(C)C)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• 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: 10.8596 ± 0.0004 Å
• b: 17.6855 ± 0.0006 Å
• c: 18.0481 ± 0.0007 Å
• α: 63.547 ± 0.004°
• β: 75.76 ± 0.003°
• γ: 89.15 ± 0.003°
• Cell volume: 2990 ± 0.2 ų
• Cell temperature: 58 ± 60 K
• Ambient diffraction temperature: 58 ± 60 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: 0.0665
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No