Information card for entry 7060437

Structure parameters

• Formula: C120 H80 B2 Cl6 F48 N6 Na2 O8
• Calculated formula: C120 H80 B2 Cl6 F48 N6 Na2 O8
• Title of publication: Synthesis and characterization of new Na+ complexes of N-benzyl cyclic peptoids and their role in the ring opening polymerization of l-lactide
• Authors of publication: D'Amato, Assunta; Schettini, Rosaria; Pierri, Giovanni; Izzo, Irene; Grisi, Fabia; Tedesco, Consiglia; De Riccardis, Francesco; Costabile, Chiara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5410 - 5420
• a: 13.193 ± 0.009 Å
• b: 14.898 ± 0.01 Å
• c: 18.494 ± 0.01 Å
• α: 97.25 ± 0.02°
• β: 105.386 ± 0.019°
• γ: 105.82 ± 0.03°
• Cell volume: 3294 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.3116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No