Information card for entry 7232894

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• Title of publication: Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3
• Authors of publication: Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4289
• a: 5.6594 ± 0.0005 Å
• b: 7.2685 ± 0.0007 Å
• c: 17.267 ± 0.002 Å
• α: 90°
• β: 94.508 ± 0.009°
• γ: 90°
• Cell volume: 708.09 ± 0.12 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: 0.0614
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No