Information card for entry 7233176

Structure parameters

• Formula: C40 H28 N2
• Calculated formula: C40 H28 N2
• Title of publication: Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence
• Authors of publication: Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 1638 - 1650
• a: 13.167 ± 0.005 Å
• b: 13.192 ± 0.005 Å
• c: 8.213 ± 0.003 Å
• α: 90°
• β: 106.701 ± 0.007°
• γ: 90°
• Cell volume: 1366.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No