Information card for entry 4514791

Structure parameters

• Common name: 25 in manuscript
• Formula: C25 H22 I O P
• Calculated formula: C25 H22 I O P
• SMILES: [I-].[P+](c1ccc(cc1)OC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reductive C‒C Coupling by Desulfurizing Gold-Catalyzed Photoreactions
• Authors of publication: Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 6118
• a: 14.0443 ± 0.0003 Å
• b: 8.9519 ± 0.0002 Å
• c: 34.5515 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4343.92 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No