Information card for entry 4125972

Structure parameters

• Formula: C31 H23 O2 P
• Calculated formula: C31 H23 O2 P
• SMILES: P(=O)(c1ccccc1)(C1=C(c2c3c(ccc2OC1)cccc3)c1ccccc1)c1ccccc1
• Title of publication: Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.
• Authors of publication: Unoh, Yuto; Hirano, Koji; Miura, Masahiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6106 - 6109
• a: 14.657 ± 0.003 Å
• b: 10.662 ± 0.0017 Å
• c: 15.613 ± 0.003 Å
• α: 90°
• β: 108.866 ± 0.008°
• γ: 90°
• Cell volume: 2308.8 ± 0.8 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.112
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No