Information card for entry 2312744

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquasodium(I)-di-μ-aqua] 2-[(naphthalen-2-ylmethyl)amino]-3-phenylpropanoate monohydrate]
• Formula: C20 H28 N Na O7
• Calculated formula: C20 H28 N Na O7
• Title of publication: Conformational versatility among crystalline solids of L-phenylalanine derivatives.
• Authors of publication: Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 6.636 ± 0.0006 Å
• b: 6.947 ± 0.0004 Å
• c: 22.583 ± 0.003 Å
• α: 90°
• β: 97.955 ± 0.012°
• γ: 90°
• Cell volume: 1031.06 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.67019 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes