Information card for entry 1566855

Structure parameters

• Formula: C18 H36 N2 O2 P2
• Calculated formula: C18 H36 N2 O2 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: 10.1507 ± 0.0002 Å
• b: 10.483 ± 0.0003 Å
• c: 12.0198 ± 0.0004 Å
• α: 71.0631 ± 0.0009°
• β: 77.4831 ± 0.001°
• γ: 65.8533 ± 0.0018°
• Cell volume: 1098.71 ± 0.06 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No