Information card for entry 7120434

Structure parameters

• Formula: C39 H28 N4 O6
• Calculated formula: C38.94 H27.93 N3.99 O6
• 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: 11.279 ± 0.008 Å
• b: 11.279 ± 0.008 Å
• c: 42.69 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4703 ± 6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No