Information card for entry 4028241

Structure parameters

• Formula: C28 H25 O3 P
• Calculated formula: C28 H25 O3 P
• SMILES: [P@@]1(=O)([C@@H](C[C@H](O)c2ccccc2)c2c(c(OC)ccc2)c2c1cccc2)c1ccccc1
• Title of publication: P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far
• Authors of publication: Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4665 - 4673
• a: 11.7715 ± 0.0001 Å
• b: 11.7715 ± 0.0001 Å
• c: 33.0827 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4584.21 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No