Information card for entry 7153964

Structure parameters

• Formula: C48 H52 Si4
• Calculated formula: C48 H52 Si4
• SMILES: c1(c2C3c4c(cccc4C(c2ccc1)C1c2c(cccc2C3c2c1c(ccc2)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C
• Title of publication: Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.
• Authors of publication: Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 7355 - 7365
• a: 8.564 ± 0.003 Å
• b: 10.244 ± 0.004 Å
• c: 12.957 ± 0.005 Å
• α: 79.45 ± 0.03°
• β: 82.013 ± 0.015°
• γ: 76.34 ± 0.011°
• Cell volume: 1080.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No