Information card for entry 1553718

Structure parameters

• Chemical name: CBF_with_o-dichlorobenzene
• Formula: C64 H36 Cl4
• Calculated formula: C64 H36 Cl4
• SMILES: Clc1ccccc1Cl.Clc1ccccc1Cl.c1cccc2c1C1c3c2ccc(c3)c2ccc3c(c2)C(c2c3cccc2)=C2c3c(c4c2cccc4)ccc(c3)c2cc3c(cc2)c2c(C=13)cccc2
• Title of publication: A helically-twisted ladder based on 9,9′-bifluorenylidene: synthesis, characterization, and carrier-transport properties
• Authors of publication: Xu, Jinjia; Takai, Atsuro; Bannaron, Alisa; Nakagawa, Takafumi; Matsuo, Yutaka; Sugimoto, Manabu; Matsushita, Yoshitaka; Takeuchi, Masayuki
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 780
• a: 18.181 ± 0.002 Å
• b: 12.65 ± 0.0016 Å
• c: 19.801 ± 0.002 Å
• α: 90°
• β: 96.169 ± 0.003°
• γ: 90°
• Cell volume: 4527.7 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No