Information card for entry 2300505

Structure parameters

• Formula: C28 H26 N2 O4
• Calculated formula: C28 H26 N2 O4
• SMILES: c1c(OC)c(O)ccc1/C=N/c1ccc(/N=C/c2ccc(c(c2)OC)O)cc1.c1ccccc1
• 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: 5.9038 ± 0.0004 Å
• b: 10.7455 ± 0.0008 Å
• c: 19.4895 ± 0.0011 Å
• α: 90°
• β: 90.263 ± 0.002°
• γ: 90°
• Cell volume: 1236.39 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0555
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes