Information card for entry 7154060

Structure parameters

• Formula: C18 H10
• Calculated formula: C18 H10
• SMILES: c1(c2cc3cccc(c3cc2ccc1)C#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: 10.93715 ± 0.00019 Å
• b: 11.26203 ± 0.00016 Å
• c: 9.96535 ± 0.00016 Å
• α: 90°
• β: 105.935 ± 0.0017°
• γ: 90°
• Cell volume: 1180.31 ± 0.03 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 K
• Number of distinct elements: 2
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7153961
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No