Information card for entry 4025986

Structure parameters

• Formula: C28 H20 B0 F0 N O0 P
• Calculated formula: C28 H20 N P
• SMILES: P1(c2ccccc2)(c2ccccc2)c2ccccc2C(=CC=1C#N)c1ccccc1
• Title of publication: Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides
• Authors of publication: Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 566 - 572
• a: 8.767 ± 0.003 Å
• b: 8.8718 ± 0.0011 Å
• c: 15.547 ± 0.004 Å
• α: 93.997 ± 0.014°
• β: 115.68 ± 0.02°
• γ: 101.219 ± 0.017°
• Cell volume: 1052.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes