Information card for entry 1555463

Structure parameters

• Formula: C58 H52 O
• Calculated formula: C58 H52 O
• SMILES: C(=C(\c1c(ccc(c1)c1ccc(C)cc1)c1ccc(cc1)C)c1ccccc1)(\c1c(c2ccc(C)cc2)ccc(c1)c1ccc(cc1)C)c1ccccc1.O1CCCC1
• Title of publication: High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.
• Authors of publication: He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6174 - 6177
• a: 30.72 ± 0.003 Å
• b: 17.174 ± 0.0011 Å
• c: 16.373 ± 0.0012 Å
• α: 90°
• β: 97.824 ± 0.003°
• γ: 90°
• Cell volume: 8557.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1893
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No