Information card for entry 1502063

Structure parameters

• Formula: C101 H82 O12
• Calculated formula: C101 H82 O12
• SMILES: O(c1c2c(OC)c3c(OC)c1COc1cc(ccc1)C14c5c6c7c8c9c(C(c%10cccc(OC2)c%10)(c8c5c2c1cccc2)c1cccc(OCc2c(OC)c(COc5cc4ccc5)c(OC)c(COc4cccc(C7(c5cc(OC3)ccc5)c3ccccc63)c4)c2OC)c1)cccc9)C.Cc1ccccc1.Cc1ccccc1
• 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: 14.4957 ± 0.0001 Å
• b: 23.2552 ± 0.0003 Å
• c: 22.2461 ± 0.0003 Å
• α: 90°
• β: 92.018 ± 0.001°
• γ: 90°
• Cell volume: 7494.52 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No