Information card for entry 1555180

Structure parameters

• Formula: C32 H28 N2 O6
• Calculated formula: C31.4775 H25.2 N2 O6
• SMILES: O=C1N(CCCC)C(=O)c2c3c1cccc3c(c(O)c2)c1c(cc2C(=O)N(C(=O)c3c2c1ccc3)CCCC)O
• 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: 32.9549 ± 0.0008 Å
• b: 12.7486 ± 0.0002 Å
• c: 24.5123 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10298.3 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.1534
• Weighted residual factors for significantly intense reflections: 0.3425
• Weighted residual factors for all reflections included in the refinement: 0.3669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No