Information card for entry 1560841

Structure parameters

• Formula: C49 H34 N2 O
• Calculated formula: C49 H34 N2 O
• SMILES: O1c2c(C3(c4c1cccc4)c1c(c4c3cc(N(c3ccccc3)c3ccccc3)cc4)ccc(N(c3ccccc3)c3ccccc3)c1)cccc2
• Title of publication: Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement
• Authors of publication: Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 11
• Pages of publication: 6249 - 6259
• a: 10.445 ± 0.003 Å
• b: 11.048 ± 0.003 Å
• c: 15.689 ± 0.005 Å
• α: 97.771 ± 0.007°
• β: 96.286 ± 0.008°
• γ: 94.504 ± 0.008°
• Cell volume: 1775 ± 0.9 ų
• Cell temperature: 298.07 K
• Ambient diffraction temperature: 298.07 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: 0.1437
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No