Information card for entry 7232691

Structure parameters

• Chemical name: N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane
• Formula: C30 H34 N2 O2
• Calculated formula: C30 H34 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: 9.6669 ± 0.0003 Å
• b: 14.8741 ± 0.0006 Å
• c: 19.1839 ± 0.0006 Å
• α: 86.367 ± 0.004°
• β: 81.808 ± 0.003°
• γ: 71.038 ± 0.003°
• Cell volume: 2581.65 ± 0.16 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: 0.0424
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No