Information card for entry 4038741

Structure parameters

• Formula: C24 H14 B Br F4 O3
• Calculated formula: C24 H14 B Br F3.9996 O3
• Title of publication: Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.
• Authors of publication: Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 18
• Pages of publication: 11908 - 11923
• a: 8.8561 ± 0.0005 Å
• b: 9.3777 ± 0.0005 Å
• c: 14.1453 ± 0.0005 Å
• α: 91.724 ± 0.004°
• β: 98.862 ± 0.004°
• γ: 116.907 ± 0.006°
• Cell volume: 1028.42 ± 0.11 ų
• Cell temperature: 290.56 ± 0.1 K
• Ambient diffraction temperature: 290.56 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No