Information card for entry 4033016

Structure parameters

• Formula: C33 H25 O3 P
• Calculated formula: C33 H25 O3 P
• SMILES: P(=O)(c1c(oc2c1cccc2)C(O)(c1ccccc1)c1ccccc1)(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: 18.1366 ± 0.001 Å
• b: 13.9563 ± 0.0006 Å
• c: 19.6941 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4985 ± 0.4 ų
• Cell temperature: 288.78 ± 0.1 K
• Ambient diffraction temperature: 288.78 ± 0.1 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: 0.1169
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No