Information card for entry 1552019

Structure parameters

• Chemical name: (NE,N'E,N''E,N'''E)-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N-benzylideneaniline)
• Formula: C56 H44 Cl2 N4
• Calculated formula: C56 H44 Cl2 N4
• Title of publication: Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks
• Authors of publication: Laura Ascherl; Torben Sick; Johannes T. Margraf; Saul H. Lapidus; Mona Calik; Christina Hettstedt; Konstantin Karaghiosoff; Markus Doblinger; Timothy Clark; Karena W. Chapman; Florian Auras; Thomas Bein
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 310 - 316
• a: 9.321 ± 0.0005 Å
• b: 15.264 ± 0.0009 Å
• c: 16.653 ± 0.0007 Å
• α: 74.721 ± 0.004°
• β: 84.365 ± 0.004°
• γ: 78.162 ± 0.004°
• Cell volume: 2234.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No