Information card for entry 2300508

Structure parameters

• Formula: C32 H28 N4 O4
• Calculated formula: C32 H28 N4 O4
• SMILES: c1(ccc(cc1OC)/C=N/c1ccc(cc1)/N=C/c1ccc(c(c1)OC)O)O.n1ccc(cc1)c1ccncc1
• Title of publication: Supramolecular organic frameworks of a Schiff base showing selective guest adsorption
• Authors of publication: Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 3
• a: 12.8209 ± 0.0009 Å
• b: 7.0395 ± 0.0004 Å
• c: 14.7623 ± 0.0007 Å
• α: 90°
• β: 96.82 ± 0.003°
• γ: 90°
• Cell volume: 1322.91 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes