Information card for entry 7230348

Structure parameters

• Formula: C23 H14 O
• Calculated formula: C23 H14 O
• Title of publication: Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
• Authors of publication: Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 9922 - 9929
• a: 8.6959 ± 0.001 Å
• b: 8.9304 ± 0.001 Å
• c: 11.2041 ± 0.0013 Å
• α: 69.755 ± 0.004°
• β: 80.944 ± 0.004°
• γ: 69.789 ± 0.004°
• Cell volume: 765.36 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No