Information card for entry 7241414

Structure parameters

• Common name: Boc-Phe-Aib-OMe
• Formula: C19 H28 N2 O5
• Calculated formula: C19 H28 N2 O5
• 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: 8.279 ± 0.017 Å
• b: 11.9 ± 0.03 Å
• c: 20.37 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007 ± 8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No