Information card for entry 1515543

Structure parameters

• Formula: C48 H64 O8
• Calculated formula: C48 H64 O8
• SMILES: O(c1cccc2c3cccc(OCCCCCCC)c3c3c(OCCCCCCC)cccc3c3cccc(OCCOCCOC)c3c12)CCOCCOC
• Title of publication: Thermotropic liquid crystals based on 1,8,9,16-tetrasubstituted tetraphenylenes and their structure–property relationship studies
• Authors of publication: Hau, Chun-Kit; Chui, Stephen Sin-Yin; Lu, Wei; Che, Chi-Ming; Cheng, Ping-Shing; Mak, Thomas C. W.; Miao, Qian; Wong, Henry N. C.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 1068
• a: 12.6286 ± 0.0009 Å
• b: 13.2786 ± 0.001 Å
• c: 14.6898 ± 0.001 Å
• α: 85.812 ± 0.002°
• β: 77.077 ± 0.002°
• γ: 67.47 ± 0.002°
• Cell volume: 2217.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1681
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No