Information card for entry 7233342

Structure parameters

• Formula: C21 H27 F4 N2 O3 P
• Calculated formula: C21 H27 F4 N2 O3 P
• Title of publication: Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions
• Authors of publication: Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 42
• Pages of publication: 24117
• a: 8.8604 ± 0.0004 Å
• b: 9.8978 ± 0.0008 Å
• c: 13.1171 ± 0.0007 Å
• α: 91.889 ± 0.005°
• β: 91.35 ± 0.004°
• γ: 109.119 ± 0.006°
• Cell volume: 1085.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No