Information card for entry 7118709

Structure parameters

• Formula: C6 F5 N
• Calculated formula: C6 F5 N
• Title of publication: Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals
• Authors of publication: Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2103 - 2106
• a: 13.77 ± 0.006 Å
• b: 5.569 ± 0.003 Å
• c: 9.822 ± 0.004 Å
• α: 90°
• β: 127.333 ± 0.004°
• γ: 90°
• Cell volume: 598.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7118643
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No