Information card for entry 7157879

Structure parameters

• Formula: C18 H19 B O2 S
• Calculated formula: C18 H19 B O2 S
• Title of publication: Short syntheses of 1-substituted dibenzothiophene derivatives.
• Authors of publication: Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2000 - 2007
• a: 11.427 ± 0.001 Å
• b: 10.282 ± 0.0009 Å
• c: 13.6992 ± 0.0012 Å
• α: 90°
• β: 99.468 ± 0.003°
• γ: 90°
• Cell volume: 1587.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No