Information card for entry 7223300

Structure parameters

• Chemical name: ethyl 6-(9-methyl-9H-carbazol-3-yl)-1-oxo-3-phenyl-1H-indene-2-carboxylate
• Formula: C31 H23 N O3
• Calculated formula: C31 H23 N O3
• 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: 9.1488 ± 0.0012 Å
• b: 12.408 ± 0.003 Å
• c: 20.32 ± 0.004 Å
• α: 90°
• β: 93.682 ± 0.015°
• γ: 90°
• Cell volume: 2301.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1681
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No