Information card for entry 7110334

Structure parameters

• Formula: C40 H32 O2
• Calculated formula: C40 H32 O2
• SMILES: O(c1ccc(c2c(/C(=C(/c3ccccc3)c3ccccc3c3ccc(OC)cc3)c3ccccc3)cccc2)cc1)C
• Title of publication: Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission
• Authors of publication: Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1131
• a: 9.3819 ± 0.0003 Å
• b: 9.2364 ± 0.0005 Å
• c: 34.2924 ± 0.0015 Å
• α: 90°
• β: 90.577 ± 0.004°
• γ: 90°
• Cell volume: 2971.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0805
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No