Information card for entry 4513112

Structure parameters

• Formula: C26 H22 N2 O6
• Calculated formula: C26 H22 N2 O6
• SMILES: C(=O)(c1ccccc1O)O.c1nccc(c1)/C=C/c1ccncc1.C(=O)(c1ccccc1O)O
• Title of publication: Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
• Authors of publication: Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2389
• a: 8.7577 ± 0.0006 Å
• b: 6.8083 ± 0.0005 Å
• c: 19.6624 ± 0.0016 Å
• α: 90°
• β: 105.338 ± 0.007°
• γ: 90°
• Cell volume: 1130.61 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No