Information card for entry 1504766

Structure parameters

• Formula: C54 H51 N3 O3
• Calculated formula: C54 H48 N3 O3
• Title of publication: One-pot synthesis of cyclic triamides with a triangular cavity from trans-stilbene and diphenylacetylene monomers.
• Authors of publication: Yokoyama, Akihiro; Maruyama, Takurou; Tagami, Kei; Masu, Hyuma; Katagiri, Kosuke; Azumaya, Isao; Yokozawa, Tsutomu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3207 - 3210
• a: 56.489 ± 0.009 Å
• b: 10.027 ± 0.0015 Å
• c: 32.895 ± 0.005 Å
• α: 90°
• β: 91.584 ± 0.004°
• γ: 90°
• Cell volume: 18625 ± 5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.2702
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No