Information card for entry 7247783

Structure parameters

• Formula: C23 H26 F3 N3 O2
• Calculated formula: C23 H26 F3 N3 O2
• Title of publication: Polymorphism of amantadinium niflumate
• Authors of publication: Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 48
• Pages of publication: 6748 - 6757
• a: 16.953 ± 0.006 Å
• b: 6.359 ± 0.003 Å
• c: 20.573 ± 0.006 Å
• α: 90°
• β: 108.29 ± 0.03°
• γ: 90°
• Cell volume: 2105.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No