Information card for entry 4003041

Structure parameters

• Formula: C2.56 H1.94 N0.22 O0.22
• Calculated formula: C2.55556 H2 N0.222222 O0.222222
• SMILES: O=C1N(C(=O)c2c1cccc2)CCCn1c2c(c3c1cccc3)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: 8.0335 ± 0.0016 Å
• b: 13.03 ± 0.003 Å
• c: 18.499 ± 0.004 Å
• α: 103.47 ± 0.03°
• β: 97.48 ± 0.03°
• γ: 105.21 ± 0.03°
• Cell volume: 1779 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No