Information card for entry 7236846

Structure parameters

• Common name: BMO
• Chemical name: (Z)-4-benzylidene-2-methyloxazol-5(4H)-one
• Formula: C11 H9 N O2
• Calculated formula: C11 H9 N 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: 10.82841 ± 0.00014 Å
• b: 7.84591 ± 0.0001 Å
• c: 20.9791 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.36 ± 0.04 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No