Information card for entry 7123151

Structure parameters

• Formula: C41 H25 N3
• Calculated formula: C41 H25 N3
• Title of publication: Pyrene affixed triazoles: A new class of molecular semiconductors for robust, non-volatile resistive memory devices
• Authors of publication: Barman, Biswajit K.; Guru, Murali M.; Panda, Gaurav K.; Maji, Biplab; Vijayaraghavan, Ratheesh
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.1102 ± 0.0008 Å
• b: 10.042 ± 0.0005 Å
• c: 22.5616 ± 0.0011 Å
• α: 90°
• β: 96.23 ± 0.005°
• γ: 90°
• Cell volume: 2727.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No