Information card for entry 7154064

Structure parameters

• Formula: C38 H32 Cl4 Si2
• Calculated formula: C38 H32 Cl4 Si2
• SMILES: c1(c2C3c4c(cccc4C(c2ccc1)(C1c2c(cccc2C3(c2c1c(ccc2)Cl)C#C[Si](C)(C)C)Cl)C#C[Si](C)(C)C)Cl)Cl
• 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: 7.5761 ± 0.0006 Å
• b: 10.0339 ± 0.0008 Å
• c: 12.7454 ± 0.0008 Å
• α: 110.973 ± 0.005°
• β: 99.303 ± 0.005°
• γ: 101.673 ± 0.004°
• Cell volume: 856.46 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7153965
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No