Information card for entry 7230243

Structure parameters

• Chemical name: N-((6-butyl-2,4,8,10-tetraphenyl-6,7-dihydro-5H-dibenzo[c,e]azepin-1-yl)methyl)-N-ethylbutan-1-amine
• Formula: C48 H48 N2
• Calculated formula: C48 H48 N2
• Title of publication: Polymorphism of a porous hydrogen bond assisted ionic organic framework
• Authors of publication: Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 15.0148 ± 0.0017 Å
• b: 9.6841 ± 0.0011 Å
• c: 25.874 ± 0.003 Å
• α: 90°
• β: 100.421 ± 0.003°
• γ: 90°
• Cell volume: 3700.1 ± 0.7 ų
• Cell temperature: 123 ± 3 K
• Ambient diffraction temperature: 123 ± 3 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No