Information card for entry 1569850

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate
• Formula: C34 H42 N4 O8
• Calculated formula: C34 H42 N4 O8
• Title of publication: N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate
• Authors of publication: Stapf, Manuel; Schwarzer, Anke
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• Pages of publication: x230743
• a: 13.632 ± 0.004 Å
• b: 13.632 ± 0.004 Å
• c: 17.507 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3253.4 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No