Information card for entry 7062033

Structure parameters

• Formula: C48 H36 B2 F8 O Se2 Te2
• Calculated formula: C48 H36 B2 F8 O Se2 Te2
• 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: 12.117 ± 0.003 Å
• b: 19.875 ± 0.005 Å
• c: 20.939 ± 0.005 Å
• α: 90°
• β: 95.196 ± 0.007°
• γ: 90°
• Cell volume: 5022 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No