Information card for entry 4515411

Structure parameters

• Formula: C19 H12 F3 I3 N2 O2
• Calculated formula: C19 H12 F3 I3 N2 O2
• SMILES: Ic1c(F)c(I)c(F)c(I)c1F.Oc1ccccc1/C=N/c1ncc(OC)cc1
• Title of publication: Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.
• Authors of publication: Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 49
• Pages of publication: 42740 - 42746
• a: 14.37 ± 0.003 Å
• b: 23.953 ± 0.005 Å
• c: 7.1279 ± 0.0014 Å
• α: 90°
• β: 91.48 ± 0.03°
• γ: 90°
• Cell volume: 2452.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No