Information card for entry 1576289

Structure parameters

• Formula: C12 H13 N3 O
• Calculated formula: C12 H13 N3 O
• Title of publication: Triple-Helical Aggregates of Copper(I) Cyclic Trinuclear Complexes for Circularly Polarized Luminescence
• Authors of publication: Huang, Guo-Quan; Yang, Hu; Xia, Ri-Qin; Wu, Kun; Huang, Yong-Liang; Hao, De-Bo; Li, Shun-Bo; Lu, Weigang; Zheng, Ji; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 9.3639 ± 0.0003 Å
• b: 5.0884 ± 0.0001 Å
• c: 11.5646 ± 0.0003 Å
• α: 90°
• β: 96.3 ± 0.003°
• γ: 90°
• Cell volume: 547.69 ± 0.03 ų
• Cell temperature: 100.01 ± 0.16 K
• Ambient diffraction temperature: 100.01 ± 0.16 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No