Information card for entry 1557195

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: 5.9457 ± 0.0003 Å
• b: 7.8815 ± 0.0005 Å
• c: 14.0822 ± 0.0008 Å
• α: 86.684 ± 0.005°
• β: 87.09 ± 0.005°
• γ: 88.848 ± 0.005°
• Cell volume: 657.85 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No