Information card for entry 7120424

Structure parameters

• Formula: C33 H21 N3 O6
• Calculated formula: C33 H21 N3 O6
• SMILES: c12C(=O)N(C(=O)c1c1C(=O)N(C(=O)c1c1C(=O)N(C(=O)c21)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• 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: 14.2424 ± 0.0018 Å
• b: 13.5392 ± 0.0017 Å
• c: 26.421 ± 0.003 Å
• α: 90°
• β: 91.0247 ± 0.0017°
• γ: 90°
• Cell volume: 5094 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No