Information card for entry 4515412

Structure parameters

• Formula: C32 H24 F4 I2 N4 O4
• Calculated formula: C32 H24 F4 I2 N4 O4
• SMILES: c1(ccccc1/C=N/c1ccc(OC)cn1)O.Fc1c(I)c(F)c(F)c(I)c1F.c1(c(cccc1)O)/C=N/c1ccc(OC)cn1
• 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: 4.0342 ± 0.0008 Å
• b: 19.652 ± 0.004 Å
• c: 19.647 ± 0.004 Å
• α: 90°
• β: 92.444 ± 0.002°
• γ: 90°
• Cell volume: 1556.2 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No