Information card for entry 7237953

Structure parameters

• Common name: 1M
• Formula: C31 H19 N O
• Calculated formula: C31 H19 N O
• Title of publication: Aggregation-induced photodimerization of an alkynylpyrene derivative as a photoresponsive fluorescent ink
• Authors of publication: Zhang, Junying; Tang, Shao-Xiong; Fu, Rong; Xu, Xing-Dong; Feng, Shengyu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 44
• Pages of publication: 13786
• a: 5.0685 ± 0.0013 Å
• b: 12.33 ± 0.003 Å
• c: 34.435 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2152 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No