Information card for entry 1559173

Structure parameters

• Common name: 2-Hradical
• Chemical name: 2-Hradical
• Formula: C30.95 H39.55 N4 O2.33
• Calculated formula: C30.954 H39.5516 N4 O2.3333
• Title of publication: Persistent, highly localized, and tunable [4]helicene radicals
• Authors of publication: Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 20.1829 ± 0.0005 Å
• b: 10.7314 ± 0.0003 Å
• c: 25.5707 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5538.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No