Information card for entry 4034386

Structure parameters

• Common name: 10 in manuscript
• Formula: C38 H24 O2.5 S2
• Calculated formula: C38 H24 O2.5 S2
• Title of publication: 2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.
• Authors of publication: Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 15
• Pages of publication: 9826 - 9834
• a: 42.404 ± 0.006 Å
• b: 7.2286 ± 0.0007 Å
• c: 20.011 ± 0.004 Å
• α: 90°
• β: 103.906 ± 0.014°
• γ: 90°
• Cell volume: 5954 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.4247
• Residual factor for significantly intense reflections: 0.3019
• Weighted residual factors for significantly intense reflections: 0.5621
• Weighted residual factors for all reflections included in the refinement: 0.612
• Goodness-of-fit parameter for all reflections included in the refinement: 3.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No