Information card for entry 1566869

Structure parameters

• Formula: C28 H50 I N3 O P2
• Calculated formula: C28 H50 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: 9.9808 ± 0.0001 Å
• b: 28.802 ± 0.0003 Å
• c: 11.8786 ± 0.0002 Å
• α: 90°
• β: 109.431 ± 0.0004°
• γ: 90°
• Cell volume: 3220.21 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No