Information card for entry 4000085

Structure parameters

• Common name: Hesathia[11]heterohelicene
• Chemical name: Hesathia[11]heterohelicene
• Formula: C34 H14 S6
• Calculated formula: C34 H14 S6
• SMILES: c1cc2c(s1)ccc1c2c2c(s1)ccc1c2c2c(s1)ccc1c2c2c(s1)ccc1c2c2c(s1)ccc1c2ccs1
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 11.396 ± 0.001 Å
• b: 11.49 ± 0.001 Å
• c: 20.141 ± 0.002 Å
• α: 78.49 ± 0.005°
• β: 89.59 ± 0.005°
• γ: 88 ± 0.005°
• Cell volume: 2582.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No