Information card for entry 4515413

Structure parameters

• Formula: C13 H12 N2 O2
• Calculated formula: C13 H12 N2 O2
• SMILES: Oc1c(cccc1)/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: 36.542 ± 0.016 Å
• b: 36.542 ± 0.016 Å
• c: 4.623 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5346 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No