Information card for entry 4124478

Structure parameters

• Formula: C57 H42 Cl2
• Calculated formula: C57 H42 Cl2
• Title of publication: Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.
• Authors of publication: Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12282 - 12288
• a: 14.73721 ± 0.00018 Å
• b: 33.785 ± 0.0003 Å
• c: 9.62683 ± 0.0001 Å
• α: 90°
• β: 106.588 ± 0.0012°
• γ: 90°
• Cell volume: 4593.69 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No