Information card for entry 4038864

Structure parameters

• Formula: C22 H21 O3 P
• Calculated formula: C22 H21 O3 P
• Title of publication: Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.
• Authors of publication: Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.434 ± 0.0007 Å
• b: 6.0505 ± 0.0004 Å
• c: 29.2143 ± 0.0019 Å
• α: 90°
• β: 96.876 ± 0.002°
• γ: 90°
• Cell volume: 1831.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No