Information card for entry 7123799

Structure parameters

• Common name: 2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole
• Chemical name: 2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole
• Formula: C22 H16 N2
• Calculated formula: C22 H16 N2
• Title of publication: Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism
• Authors of publication: Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.51 ± 0.015 Å
• b: 14.51 ± 0.015 Å
• c: 15.944 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3357 ± 5 ų
• Cell temperature: 473 ± 2 K
• Ambient diffraction temperature: 473 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1938
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.3456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No