Information card for entry 7236849

Structure parameters

• Common name: BMO-PC
• Chemical name: (Z)-4'-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)-[1,1'-biphenyl]-4-carbonitrile
• Formula: C18 H12 N2 O2
• Calculated formula: C18 H12 N2 O2
• Title of publication: Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism
• Authors of publication: Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 29
• Pages of publication: 7191
• a: 3.9036 ± 0.0002 Å
• b: 13.2662 ± 0.0008 Å
• c: 13.377 ± 0.0009 Å
• α: 88.642 ± 0.005°
• β: 85.39 ± 0.005°
• γ: 85.977 ± 0.005°
• Cell volume: 688.68 ± 0.07 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No