Information card for entry 7050664

Structure parameters

• Common name: 4,6-dibromo dibenzothiophene
• Chemical name: 4,6-dibromo dibenzothiophene
• Formula: C12 H6 Br2 S
• Calculated formula: C12 H6 Br2 S
• SMILES: c12c3cccc(Br)c3sc2c(Br)ccc1
• Title of publication: Synthesis and structure of 4,6-disubstituted dibenzothiophenes and their use in the preparation of binuclear platinum(ii) complexes
• Authors of publication: Chantson, Janine T.; Lotz, Simon; Ichharam, Vimal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1735
• a: 10.4977 ± 0.0017 Å
• b: 8.5629 ± 0.0014 Å
• c: 12.947 ± 0.002 Å
• α: 90°
• β: 106.813 ± 0.003°
• γ: 90°
• Cell volume: 1114.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0754
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No