Information card for entry 1557193

Structure parameters

• Formula: C20 H14
• Calculated formula: C20 H14
• Title of publication: Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties
• Authors of publication: Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2020
• a: 14.0565 ± 0.0007 Å
• b: 5.9201 ± 0.0003 Å
• c: 7.8474 ± 0.0004 Å
• α: 90°
• β: 92.837 ± 0.003°
• γ: 90°
• Cell volume: 652.23 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2527
• Weighted residual factors for all reflections included in the refinement: 0.3442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No