Information card for entry 4132269

Structure parameters

• Formula: C98 H88 N8
• Calculated formula: C98 H88 N8
• SMILES: c12cc3ccccc3cc2N(CCC)c2c(N1c1c3c(cc4N(c5cc6ccccc6c(c5Nc14)c1c4c(cc5N(c6cc7c(c(N8c9cc%10ccccc%10cc9N(c9cc%10ccccc%10cc89)CCC)c6Nc15)cccc7)CCC)cccc4)CCC)cccc3)cc1c(c2)cccc1.C(CC)CCC
• 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: 33.435 ± 0.007 Å
• b: 18.32 ± 0.004 Å
• c: 24.428 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14963 ± 5 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No