Information card for entry 7062029

Structure parameters

• Formula: C25 H23 B F4 O2 S Te
• Calculated formula: C25 H23 B F4 O2 S Te
• SMILES: [Te+](OC)(c1ccc2c3c(ccc(Sc4ccccc4)c13)CC2)c1ccccc1.[B](F)(F)(F)[F-].O
• 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: 11.7625 ± 0.0019 Å
• b: 14.972 ± 0.004 Å
• c: 15.39 ± 0.003 Å
• α: 83.26 ± 0.03°
• β: 71.08 ± 0.02°
• γ: 68.25 ± 0.02°
• Cell volume: 2381.3 ± 1 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: 0.1284
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No