Information card for entry 4033015

Structure parameters

• Formula: C33 H25 O2 P
• Calculated formula: C33 H25 O2 P
• SMILES: P(=O)(C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1O)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.
• Authors of publication: Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 21
• Pages of publication: 11636 - 11643
• a: 14.0424 ± 0.0008 Å
• b: 17.427 ± 0.0008 Å
• c: 20.7378 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5074.9 ± 0.4 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No