Information card for entry 7230347

Structure parameters

• Formula: C29 H18 O
• Calculated formula: C29 H18 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: 5.2858 ± 0.0007 Å
• b: 8.206 ± 0.0011 Å
• c: 42.862 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1859.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No