Information card for entry 4518576

Structure parameters

• Common name: PBNA
• Chemical name: (2Z,2'Z)-3,3'-(1,4-phenylene)bis(2-(naphthalen-2-yl)acrylonitrile)
• Formula: C16 H10 N
• Calculated formula: C16 H10 N
• Title of publication: Lamellar Organic Light-Emitting Crystals Exhibiting Spectral Gain and 3.6% External Quantum Efficiency in Transistors
• Authors of publication: Liu, Liqun; Cai, Chang; Zhang, Zejian; Zhang, Shitong; Deng, Jian; Yang, Bing; Gu, Cheng; Ma, Yuguang
• Journal of publication: ACS Materials Letters
• Year of publication: 2021
• Pages of publication: 428 - 432
• a: 7.131 ± 0.0017 Å
• b: 6.7157 ± 0.0011 Å
• c: 45.99 ± 0.017 Å
• α: 90 ± 0.017°
• β: 92.6 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2200.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.3048
• Weighted residual factors for all reflections included in the refinement: 0.3421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No