Information card for entry 7220080

Structure parameters

• Formula: C34 H24 N2 O6
• Calculated formula: C34 H24 N2 O6
• SMILES: [nH+]1c2c3ncccc3ccc2ccc1.OC(=O)c1cc2ccccc2cc1O.[O-]C(=O)c1cc2c(cc1O)cccc2
• Title of publication: Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions
• Authors of publication: Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.409 ± 0.001 Å
• b: 11.6515 ± 0.0004 Å
• c: 15.1195 ± 0.001 Å
• α: 90°
• β: 114.91 ± 0.007°
• γ: 90°
• Cell volume: 2621.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No