Information card for entry 1568039

Structure parameters

• Chemical name: 2-(pyren-1-yl)-5-methylpyridine
• Formula: C22 H15 N
• Calculated formula: C22 H15 N
• Title of publication: The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe³⁺ detection designed by a structure modulation strategy.
• Authors of publication: Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 5081 - 5090
• a: 17.626 ± 0.003 Å
• b: 7.6841 ± 0.0013 Å
• c: 11.574 ± 0.002 Å
• α: 90°
• β: 100.988 ± 0.002°
• γ: 90°
• Cell volume: 1538.8 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No