Information card for entry 1560840

Structure parameters

• Chemical name: C37H25NO
• Formula: C37 H25 N O
• Calculated formula: C37 H25 N O
• SMILES: c12C3(c4cc(N(c5ccccc5)c5ccccc5)ccc4c4c3cccc4)c3c(Oc2cccc1)cccc3
• 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: 16.7002 ± 0.0012 Å
• b: 8.989 ± 0.0007 Å
• c: 17.8237 ± 0.0014 Å
• α: 90°
• β: 96.9476 ± 0.0018°
• γ: 90°
• Cell volume: 2656 ± 0.4 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297.41 K
• Number of distinct elements: 4
• 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: 0.0908
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0314
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No