Information card for entry 7154594

Structure parameters

• Formula: C30 H18
• Calculated formula: C30 H18
• Title of publication: 1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.
• Authors of publication: Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I.; Girichev, Georgiy V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 8893 - 8905
• a: 10.8982 ± 0.0005 Å
• b: 37.3563 ± 0.0016 Å
• c: 17.593 ± 0.0008 Å
• α: 90°
• β: 99.613 ± 0.002°
• γ: 90°
• Cell volume: 7061.8 ± 0.5 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: 0.0416
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No