Information card for entry 7128972

Structure parameters

• Formula: C28 H30 B2 S2
• Calculated formula: C28 H30 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: 10.54815 ± 0.00016 Å
• b: 14.5492 ± 0.0002 Å
• c: 8.34333 ± 0.00015 Å
• α: 90°
• β: 97.4946 ± 0.0016°
• γ: 90°
• Cell volume: 1269.49 ± 0.03 ų
• Cell temperature: 297.6 ± 0.8 K
• Ambient diffraction temperature: 297.6 ± 0.8 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: 0.0749
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No