Information card for entry 1504206

Structure parameters

• Formula: C32 H38 O4
• Calculated formula: C32 H38 O4
• SMILES: O(c1cc2C(CCc3c(c2cc1OC)cc1c(c3)c2c(C(CC1)(C)C)cc(OC)c(OC)c2)(C)C)C
• 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: 9.6612 ± 0.0004 Å
• b: 6.9042 ± 0.0003 Å
• c: 19.3657 ± 0.0009 Å
• α: 90°
• β: 94.574 ± 0.003°
• γ: 90°
• Cell volume: 1287.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No