Information card for entry 7155315

Structure parameters

• Formula: C44 H28
• Calculated formula: C44 H28
• SMILES: c1ccccc1C#CC12c3ccccc3C(c3ccccc13)C(=C2c1c2ccccc2cc2ccccc12)c1ccccc1
• Title of publication: Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.
• Authors of publication: Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 10822 - 10832
• a: 10.616 ± 0.004 Å
• b: 18.469 ± 0.007 Å
• c: 15.306 ± 0.006 Å
• α: 90°
• β: 100.612 ± 0.007°
• γ: 90°
• Cell volume: 2950 ± 2 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 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: 0.0516
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No