Information card for entry 7241415

Structure parameters

• Common name: N-PhenylGly-Phe-OMe
• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• Title of publication: A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)
• Authors of publication: Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.9817 ± 0.0006 Å
• b: 5.3645 ± 0.0003 Å
• c: 14.6541 ± 0.0009 Å
• α: 90°
• β: 109.547 ± 0.006°
• γ: 90°
• Cell volume: 813.54 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No