Information card for entry 7251590

Structure parameters

• Formula: C34 H34 O8 S2
• Calculated formula: C34 H34 O8 S2
• Title of publication: 6,6′-Biazulenic core as a platform for unlocking Hammett constants via electrochemical free-energy relationships
• Authors of publication: Mandigo, Joseph A.; Kelsey, Shaun R.; Applegate, Jason C.; Sabala, Rene C.; Dairo, Monisola K.; Weghorn, Carben R.; Fair, Raina; Berrie, Cindy L.; Thompson, Ward H.; Janzen, Daron E.; Barybin, Mikhail V.
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 8371 - 8379
• a: 17.2376 ± 0.0008 Å
• b: 11.8058 ± 0.0005 Å
• c: 15.3135 ± 0.0007 Å
• α: 90°
• β: 92.212 ± 0.002°
• γ: 90°
• Cell volume: 3114 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No