Information card for entry 1504208

Structure parameters

• Formula: C66 H86
• Calculated formula: C66 H86
• Title of publication: A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.
• Authors of publication: Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4656 - 4659
• a: 11.9837 ± 0.0002 Å
• b: 36.2583 ± 0.0005 Å
• c: 18.6597 ± 0.0003 Å
• α: 90°
• β: 95.013 ± 0.001°
• γ: 90°
• Cell volume: 8076.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No