Information card for entry 7232694

Structure parameters

• Chemical name: N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane
• Formula: C28 H32 N2 O2
• Calculated formula: C28 H32 N2 O2
• Title of publication: Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints
• Authors of publication: Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 3420
• a: 9.8268 ± 0.0002 Å
• b: 10.7524 ± 0.0002 Å
• c: 12.3034 ± 0.0003 Å
• α: 104.385 ± 0.002°
• β: 99.112 ± 0.002°
• γ: 92.482 ± 0.002°
• Cell volume: 1238.7 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No