Information card for entry 7128971

Structure parameters

• Formula: C30 H34 B2 S2
• Calculated formula: C30 H34 B2 S2
• Title of publication: Thiophene-fused boracycles as photoactive analogues of diboraanthracenes.
• Authors of publication: Sa, Shreenibasa; Murali, Anna Chandrasekar; Nayak, Prakash; Venkatasubbaiah, Krishnan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 79
• Pages of publication: 10170 - 10173
• a: 7.3621 ± 0.0003 Å
• b: 16.4766 ± 0.0007 Å
• c: 11.3205 ± 0.0005 Å
• α: 90°
• β: 93.878 ± 0.002°
• γ: 90°
• Cell volume: 1370.06 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No