Information card for entry 7120471

Structure parameters

• Formula: C26 H18 B F4 N
• Calculated formula: C26 H18 B F4 N
• Title of publication: Intense Redox-Driven Chiroptical Switching with a 580 mV Hysteresis Actuated Through Reversible Dimerization of an Azoniahelicene
• Authors of publication: Brandt, Jochen; Pospisil, Lubomir; Bednárová, Lucie; Correa da Costa, Rosenildo; White, Andrew J. P.; Mori, Tadashi; Teply, Filip; Fuchter, Matthew
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.3736 ± 0.0002 Å
• b: 9.77554 ± 0.00019 Å
• c: 18.3654 ± 0.0004 Å
• α: 90°
• β: 104.092 ± 0.002°
• γ: 90°
• Cell volume: 1980.47 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No