Information card for entry 1502062

Structure parameters

• Formula: C69 H54
• Calculated formula: C69 H54
• SMILES: c12c3c(c4c(c1c1ccccc1C2(c1ccc(cc1)C)c1ccc(cc1)C)C(c1c4cccc1)(c1ccc(cc1)C)c1ccc(cc1)C)C(c1c3cccc1)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.
• Authors of publication: Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1714 - 1717
• a: 12.4562 ± 0.0007 Å
• b: 14.7749 ± 0.0009 Å
• c: 15.534 ± 0.001 Å
• α: 96.833 ± 0.005°
• β: 108.722 ± 0.005°
• γ: 109.903 ± 0.005°
• Cell volume: 2460.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1942
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No