Information card for entry 4038865

Structure parameters

• Formula: C9 H13 O3 P
• Calculated formula: C9 H13 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: 10.6804 ± 0.0004 Å
• b: 7.2713 ± 0.0003 Å
• c: 12.814 ± 0.0005 Å
• α: 90°
• β: 90.712 ± 0.002°
• γ: 90°
• Cell volume: 995.06 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No