Information card for entry 1504204

Structure parameters

• Formula: C30 H34 O2
• Calculated formula: C30 H34 O2
• SMILES: O(c1cc2C(CCc3c(c2cc1)cc1c(c3)c2c(C(CC1)(C)C)cc(OC)cc2)(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: 14.0575 ± 0.0003 Å
• b: 10.3006 ± 0.0002 Å
• c: 8.0732 ± 0.0002 Å
• α: 90°
• β: 99.533 ± 0.001°
• γ: 90°
• Cell volume: 1152.86 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No