Information card for entry 4109538

Structure parameters

• Formula: C55 H44 N2 O4
• Calculated formula: C55 H44 N2 O4
• SMILES: O(C)c1ccc(N(c2ccc(OC)cc2)c2ccc3C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4C4(c3c2)c2ccccc2c2ccccc42)cc1
• Title of publication: Doubly Ortho-Linked cis-4,4'-Bis(diarylamino)stilbene/Fluorene Hybrids as Efficient Nondoped, Sky-Blue Fluorescent Materials for Optoelectronic Applications
• Authors of publication: Yi Wei; Chien-Tien Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7478 - 7479
• a: 9.8347 ± 0.0002 Å
• b: 17.9417 ± 0.0005 Å
• c: 23.5508 ± 0.0007 Å
• α: 87.965 ± 0.001°
• β: 84.739 ± 0.001°
• γ: 89.151 ± 0.001°
• Cell volume: 4135.17 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.2361
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No