Information card for entry 1555178

Structure parameters

• Formula: C34 H27.62 N2 O6
• Calculated formula: C34 H26.08 N2 O6
• SMILES: ccccN1C(=O)c2c3c(c(c4c(cc5c6c4cccc6C(=O)N(C5=O)CCCC)OC)c(cc3C1=O)OC)ccc2
• Title of publication: 1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties
• Authors of publication: Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 3731
• a: 10.4723 ± 0.0007 Å
• b: 12.7127 ± 0.0009 Å
• c: 12.7391 ± 0.0009 Å
• α: 113.157 ± 0.007°
• β: 97.019 ± 0.006°
• γ: 110.996 ± 0.006°
• Cell volume: 1385.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No