Information card for entry 7153963

Structure parameters

• Formula: C25.5 H29.5 Sn2
• Calculated formula: C25.5 H29.5 Sn2
• SMILES: [Sn](C#Cc1c2cc3c(cccc3cc2ccc1)C#C[Sn](C)(C)C)(C)(C)C.CCCCCC
• 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: 15.3809 ± 0.0003 Å
• b: 15.4149 ± 0.0003 Å
• c: 21.7315 ± 0.0004 Å
• α: 80.6982 ± 0.0015°
• β: 74.6369 ± 0.0017°
• γ: 86.9597 ± 0.0015°
• Cell volume: 4902.7 ± 0.17 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0311
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No