Information card for entry 7133362

Structure parameters

• Common name: BNTD
• Formula: C16 H10 O2 S
• Calculated formula: C16 H10 O2 S
• Title of publication: Improving co-electrocatalytic carbon dioxide reduction by optimizing the relative potentials of the redox mediator and catalyst.
• Authors of publication: Reid, Amelia G.; Zelenke, Ethan A.; Moberg, Megan E.; Dickie, Diane A.; Machan, Charles W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 63
• Pages of publication: 8208 - 8211
• a: 7.6112 ± 0.0004 Å
• b: 8.5345 ± 0.0005 Å
• c: 9.9571 ± 0.0006 Å
• α: 111.229 ± 0.002°
• β: 102.154 ± 0.002°
• γ: 93.29 ± 0.002°
• Cell volume: 583.02 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No