Information card for entry 7118118

Structure parameters

• Formula: C41 H48 Cl8 N2 S2 Sb
• Calculated formula: C41 H10 Cl8 N2 S2 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].ClCCl.S1c2c3N(c4c1cc(cc4)C(C)(C)C)c1c4N(c3cc(c2)C(C)(C)C)c2c(Sc4cc(c1)C(C)(C)C)cc(cc2)C(C)(C)C
• Title of publication: A double hetero[4]helicene composed of two phenothiazines: synthesis, structural properties, and cationic states
• Authors of publication: Daisuke Sakamaki; Daisuke Kumano; Eiji Yashim; Shu Seki
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 17237
• a: 11.982 ± 0.004 Å
• b: 15.925 ± 0.006 Å
• c: 24.598 ± 0.009 Å
• α: 90°
• β: 90.15 ± 0.006°
• γ: 90°
• Cell volume: 4694 ± 3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.3008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No