Information card for entry 8106893

Structure parameters

• Formula: C36 H27 N7 O3
• Calculated formula: C36 H27 N7 O3
• Title of publication: Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
• Authors of publication: Yin, Xiao-Gang; Zuo, Zhen-Yu; Chen, Zhi-Ming; Gong, Wei; Chen, Zhuo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 415 - 417
• a: 8.469 ± 0.003 Å
• b: 19.345 ± 0.006 Å
• c: 19.517 ± 0.006 Å
• α: 90°
• β: 95.337 ± 0.005°
• γ: 90°
• Cell volume: 3183.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1444
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No