Information card for entry 7223302

Structure parameters

• Chemical name: ethyl 3-(4'-(diphenylamino)biphenyl-4-yl)-6-methoxy-1-oxo-1H-indene-2-carboxylate
• Formula: C37 H29 N O4
• Calculated formula: C37 H29 N O4
• SMILES: C1(=O)C(=C(c2ccc(cc12)OC)c1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)C(=O)OCC
• Title of publication: Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications
• Authors of publication: Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.994 ± 0.005 Å
• b: 12.067 ± 0.005 Å
• c: 13.535 ± 0.005 Å
• α: 97.328 ± 0.005°
• β: 89.921 ± 0.005°
• γ: 106.327 ± 0.005°
• Cell volume: 1397.3 ± 1.1 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: 0.2648
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No