Information card for entry 7062030

Structure parameters

• Formula: C26 H25 B F4 O2 Se Te
• Calculated formula: C26 H25 B F4 O2 Se Te
• 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: 10.415 ± 0.008 Å
• b: 11.443 ± 0.006 Å
• c: 11.777 ± 0.006 Å
• α: 61.44 ± 0.03°
• β: 84.01 ± 0.04°
• γ: 88.75 ± 0.04°
• Cell volume: 1225.4 ± 1.4 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No