Information card for entry 4127754

Structure parameters

• Formula: C91 H54 S2
• Calculated formula: C91 H54 S2
• Title of publication: π-Extended Pyrene-Fused Double [7]Carbohelicene as a Chiral Polycyclic Aromatic Hydrocarbon.
• Authors of publication: Hu, Yunbin; Paternò, Giuseppe M; Wang, Xiao-Ye; Wang, Xin-Chang; Guizzardi, Michele; Chen, Qiang; Schollmeyer, Dieter; Cao, Xiao-Yu; Cerullo, Giulio; Scotognella, Francesco; Müllen, Klaus; Narita, Akimitsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12797 - 12803
• a: 7.8872 ± 0.0003 Å
• b: 15.4283 ± 0.0006 Å
• c: 24.3545 ± 0.001 Å
• α: 94.076 ± 0.003°
• β: 92.133 ± 0.003°
• γ: 97.566 ± 0.003°
• Cell volume: 2927.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1394
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No