Information card for entry 7244373

Structure parameters

• Chemical name: [4]heliceneCOOH
• Formula: C19 H12 O2
• Calculated formula: C19 H12 O2
• Title of publication: [4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors
• Authors of publication: zigon, nicolas; Avarvari, Narcis
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 15.8603 ± 0.0015 Å
• b: 3.7729 ± 0.0004 Å
• c: 22.243 ± 0.002 Å
• α: 90°
• β: 102.306 ± 0.01°
• γ: 90°
• Cell volume: 1300.4 ± 0.2 ų
• Cell temperature: 149.4 ± 0.4 K
• Ambient diffraction temperature: 149.4 ± 0.4 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2849
• Weighted residual factors for all reflections included in the refinement: 0.2961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No