Information card for entry 1566868

Structure parameters

• Formula: C28.5 H56 I N3 O P2
• Calculated formula: C28.5 H56 I N3 O P2
• Title of publication: A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines
• Authors of publication: Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 14.3801 ± 0.0005 Å
• b: 11.8816 ± 0.0005 Å
• c: 20.9273 ± 0.0009 Å
• α: 90°
• β: 100.971 ± 0.002°
• γ: 90°
• Cell volume: 3510.3 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No