Information card for entry 4003044

Structure parameters

• Formula: C25 H22 N2 O2
• Calculated formula: C25 H22 N2 O2
• SMILES: n1(c2c(c3c1cccc3)cccc2)CCCCCN1C(=O)c2c(C1=O)cccc2
• Title of publication: Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications
• Authors of publication: Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5584
• a: 16.813 ± 0.003 Å
• b: 7.4763 ± 0.0015 Å
• c: 31.999 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4022.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No