Information card for entry 7120435

Structure parameters

• Formula: C33 H18 F3 N3 O6
• Calculated formula: C33 H18 F3 N3 O6
• SMILES: N1(C(=O)c2c3C(=O)N(C(=O)c3c3C(=O)N(C(=O)c3c2C1=O)Cc1ccc(cc1)F)Cc1ccc(cc1)F)Cc1ccc(cc1)F
• Title of publication: One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds
• Authors of publication: Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.791 ± 0.011 Å
• b: 10.595 ± 0.008 Å
• c: 11.856 ± 0.011 Å
• α: 90°
• β: 110.406 ± 0.013°
• γ: 90°
• Cell volume: 1388 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0746
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No