Information card for entry 1567310

Structure parameters

• Formula: C30 H28 O2 S
• Calculated formula: C30 H28 O2 S
• SMILES: S1(=O)(=O)c2ccc(cc2c2c1ccc(c2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design
• Authors of publication: Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 9595 - 9606
• a: 19.7648 ± 0.0012 Å
• b: 7.4276 ± 0.0004 Å
• c: 16.1962 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2377.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No