Information card for entry 7203764

Structure parameters

• Formula: C54 H64 N2 O6
• Calculated formula: C54 H64 N2 O6
• SMILES: CCCCCCCCOc1c(cc(OCCCCCCCC)c(c1)C#Cc1cc2c(cc1)C(=O)N(C2=O)C1CCCCC1)C#Cc1cc2c(cc1)C(=O)N(C2=O)C1CCCCC1
• Title of publication: Confined photoactive substructures on a chiral scaffold: the design of an electroluminescent polyimide as material for PLED**
• Authors of publication: Dautel, Olivier J.; Wantz, Guillaume; Flot, David; Lere-Porte, Jean-Pierre; Moreau, Joël J. E.; Parneix, Jean-Paul; Serein-Spirau, Françoise; Vignau, Laurence
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 4446
• a: 5.254 ± 0.003 Å
• b: 14.407 ± 0.004 Å
• c: 16.82 ± 0.003 Å
• α: 112.813 ± 0.004°
• β: 90.92 ± 0.04°
• γ: 99.08 ± 0.07°
• Cell volume: 1154.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7305 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No