Information card for entry 7228366

Structure parameters

• Common name: (M)-[6]helicene
• Formula: C26 H16
• Calculated formula: C26 H16
• SMILES: c1ccc2c(c1)ccc1c2c2c(cc1)ccc1c2c2c(cc1)cccc2
• Title of publication: Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule
• Authors of publication: Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 7.3079 ± 0.0003 Å
• b: 12.9491 ± 0.0006 Å
• c: 17.4393 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.29 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No