Information card for entry 4132270

Structure parameters

• Formula: C94 H80 Cl4 N8
• Calculated formula: C94 H80 Cl4 N8
• Title of publication: Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.
• Authors of publication: Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7152 - 7158
• a: 31.014 ± 0.009 Å
• b: 15.951 ± 0.004 Å
• c: 15.969 ± 0.004 Å
• α: 90°
• β: 103.327 ± 0.005°
• γ: 90°
• Cell volume: 7687 ± 4 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.3151
• Weighted residual factors for all reflections included in the refinement: 0.3423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No