Information card for entry 4110421

Structure parameters

• Common name: Bis{1-(pyridin-4-yl)-2- [2-(N-methylpyrrol-5-yl)]ethane}methane
• Formula: C19 H17 N3
• Calculated formula: C19 H17 N3
• Title of publication: Strategies for Electrooptic Film Fabrication. Influence of Pyrrole-Pyridine-Based Dibranched Chromophore Architecture on Covalent Self-Assembly, Thin-Film Microstructure, and Nonlinear Optical Response
• Authors of publication: Antonio Facchetti; Luca Beverina; Milko E. van der Boom; Pulak Dutta; Guennadi Evmenenko; Atindra D. Shukla; Charlotte E. Stern; Giorgio A. Pagani; Tobin J. Marks
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 2142 - 2153
• a: 17.945 ± 0.01 Å
• b: 7.785 ± 0.004 Å
• c: 43.07 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6017 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2328
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No