Information card for entry 4024976

Structure parameters

• Chemical name: 2,5-Bis(3,3,3-triphenylpropynyl)pyridine
• Formula: C55 H49 N O2
• Calculated formula: C55 H49 N O2
• Title of publication: Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators
• Authors of publication: Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8554 - 8565
• a: 8.593 ± 0.003 Å
• b: 9.357 ± 0.003 Å
• c: 13.962 ± 0.004 Å
• α: 77.432 ± 0.003°
• β: 79.852 ± 0.003°
• γ: 74.786 ± 0.002°
• Cell volume: 1048.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No