Information card for entry 4038700

Structure parameters

• Formula: C30 H30 N O3 P
• Calculated formula: C30 H30 N O3 P
• Title of publication: Absolute Configuration and Conformation of (-)-<i>R</i>-<i>t</i>-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis.
• Authors of publication: Petrovic, Ana G.; Polavarapu, Prasad L.; Łopusiński, Andrzej; Krasowska, Dorota; Wieczorek, Wanda; Szyrej, Małgorzata; Błaszczyk, Jarosław; Drabowicz, Józef
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.085 ± 0.002 Å
• b: 7.2789 ± 0.0015 Å
• c: 14.672 ± 0.003 Å
• α: 90°
• β: 96.83 ± 0.03°
• γ: 90°
• Cell volume: 1281.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No