Information card for entry 4033842

Structure parameters

• Formula: C31 H27 O2 P
• Calculated formula: C31 H27 O2 P
• SMILES: P(=O)(c1ccccc1)(C[C@](C#Cc1ccccc1)(C(=O)c1c(cccc1)C)C)c1ccccc1.P(=O)(C[C@@](C#Cc1ccccc1)(C(=O)c1c(cccc1)C)C)(c1ccccc1)c1ccccc1.P(=O)(c1ccccc1)(C[C@@](C(=O)c1c(cccc1)C)(C)C#Cc1ccccc1)c1ccccc1
• Title of publication: The Silver-Promoted Phosphonation/Alkynylation of Alkene Proceeding with Radical 1,2-Alkynyl Migration.
• Authors of publication: Jin, Shengnan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 11177 - 11185
• a: 8.4944 ± 0.0009 Å
• b: 8.9647 ± 0.001 Å
• c: 32.731 ± 0.004 Å
• α: 88.303 ± 0.004°
• β: 83.461 ± 0.004°
• γ: 79.038 ± 0.004°
• Cell volume: 2431 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No