Information card for entry 7154224

Structure parameters

• Formula: C34 H32 O2 P2
• Calculated formula: C34 H32 O2 P2
• SMILES: [P@@]1(=O)(C(=CC(c2ccccc12)(C)C)C1=CC(c2c([P@]1(=O)c1ccccc1)cccc2)(C)C)c1ccccc1.[P@]1(=O)(C(=CC(c2ccccc12)(C)C)C1=CC(c2c([P@@]1(=O)c1ccccc1)cccc2)(C)C)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: 11.56214 ± 0.0001 Å
• b: 11.41592 ± 0.0001 Å
• c: 21.7492 ± 0.0002 Å
• α: 90°
• β: 100.089 ± 0.0009°
• γ: 90°
• Cell volume: 2826.34 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No