Information card for entry 2242916

Structure parameters

• Chemical name: 10,10'-Oxybis(9-thia-10-hydro-10-boraanthracene)
• Formula: C24 H16 B2 O S2
• Calculated formula: C24 H16 B2 O S2
• SMILES: S1c2c(B(OB3c4c(Sc5c3cccc5)cccc4)c3c1cccc3)cccc2
• Title of publication: Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene)
• Authors of publication: Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 690 - 694
• a: 13.2989 ± 0.0011 Å
• b: 12.7097 ± 0.0007 Å
• c: 23.33 ± 0.0016 Å
• α: 90°
• β: 93.727 ± 0.006°
• γ: 90°
• Cell volume: 3935 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes