Information card for entry 7059692

Structure parameters

• Formula: C28 H23 N O4
• Calculated formula: C28 H23 N O4
• Title of publication: Synthesis, characterization, aggregation-induced enhanced emission and solvatochromic behavior of dimethyl 4′-(diphenylamino)biphenyl-3,5-dicarboxylate: experimental and theoretical studies
• Authors of publication: Karaman, Merve; Demir, Nuriye; Bilgili, Hakan; Yakali, Gul; Gokpek, Yenal; Demic, Serafettin; Kaya, Nusret; Can, Mustafa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11498 - 11506
• a: 9.0275 ± 0.0014 Å
• b: 26.058 ± 0.002 Å
• c: 9.7852 ± 0.0009 Å
• α: 90°
• β: 102.119 ± 0.011°
• γ: 90°
• Cell volume: 2250.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No