Information card for entry 2010873

Structure parameters

• Chemical name: Bis-[(4,4"-didecyloxy-p-terphenyl-2'-yl)methyl]carbonate
• Formula: C79 H110 O7
• Calculated formula: C79 H110 O7
• SMILES: O(CCCCCCCCCC)c1ccc(cc1)c1ccc(c(c1)COC(=O)OCc1c(c2ccc(OCCCCCCCCCC)cc2)ccc(c1)c1ccc(OCCCCCCCCCC)cc1)c1ccc(OCCCCCCCCCC)cc1
• Title of publication: A double mesogen based on linked <i>p</i>-terphenyl units
• Authors of publication: Gupta, Sakuntala; Palmer, R. A.; Potter, B. S.; Frampton, C. S.; Tschierske, Carsten; SenGupta, S. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e156 - e156
• a: 33.654 ± 0.009 Å
• b: 30.229 ± 0.008 Å
• c: 6.798 ± 0.002 Å
• α: 90°
• β: 94.74 ± 0.01°
• γ: 90°
• Cell volume: 6892 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.242
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes