Information card for entry 4503858

Structure parameters

• Formula: C26 H26 F2 N2 O4
• Calculated formula: C26 H26 F2 N2 O4
• SMILES: c1c(ccc(c1)C(=O)N(C)c1ccccc1N(C(=O)c1ccc(cc1)F)C)F.O1CCOCC1
• Title of publication: Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition
• Authors of publication: Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3871
• a: 12.763 ± 0.002 Å
• b: 9.1631 ± 0.0015 Å
• c: 20.309 ± 0.005 Å
• α: 90°
• β: 103.286 ± 0.003°
• γ: 90°
• Cell volume: 2311.5 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No