Information card for entry 4130799

Structure parameters

• Formula: C30 H20
• Calculated formula: C30 H20
• SMILES: c1ccc2ccc(ccc12)c1cc2ccc(ccc2c1)c1ccc2cccc2cc1
• Title of publication: Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.
• Authors of publication: Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 35
• Pages of publication: 11335 - 11343
• a: 6.0461 ± 0.0003 Å
• b: 7.3963 ± 0.0004 Å
• c: 20.9073 ± 0.0011 Å
• α: 81.327 ± 0.005°
• β: 89.655 ± 0.004°
• γ: 88.536 ± 0.004°
• Cell volume: 923.95 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 2
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No