Information card for entry 1575853

Structure parameters

• Formula: C77 H38 Cl2 F12 S6
• Calculated formula: C76.999 H37.998 Cl1.998 F12 S6
• Title of publication: Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.
• Authors of publication: Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19172 - 19177
• a: 16.6491 ± 0.0005 Å
• b: 7.9062 ± 0.0002 Å
• c: 24.9766 ± 0.0008 Å
• α: 90°
• β: 97.027 ± 0.002°
• γ: 90°
• Cell volume: 3263 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.041
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No