Information card for entry 1550402

Structure parameters

• Formula: C15 H12 O4
• Calculated formula: C15 H12 O4
• SMILES: C(=O)c1c(ccc(c1)Cc1ccc(c(c1)C=O)O)O
• Title of publication: Organic core–shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction
• Authors of publication: Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 490
• a: 7.804 ± 0.002 Å
• b: 11.72 ± 0.003 Å
• c: 13.252 ± 0.004 Å
• α: 90°
• β: 94.565 ± 0.005°
• γ: 90°
• Cell volume: 1208.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No