Information card for entry 7062032

Structure parameters

• Formula: C10 H6 B F4 S2
• Calculated formula: C10 H6 B F4 S2
• Title of publication: Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives
• Authors of publication: Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 46
• Pages of publication: 22363 - 22383
• a: 10.1169 ± 0.0009 Å
• b: 6.6072 ± 0.0006 Å
• c: 46.904 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3135.3 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93.25 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No