Information card for entry 4513111

Structure parameters

• Formula: C24 H20 N4 O6
• Calculated formula: C24 H20 N4 O6
• SMILES: C(=O)(c1c(cccc1)O)O.n1ccc(/N=N/c2ccncc2)cc1.C(=O)(c1c(cccc1)O)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: 8.6756 ± 0.0014 Å
• b: 6.7322 ± 0.0011 Å
• c: 19.923 ± 0.003 Å
• α: 90°
• β: 103.444 ± 0.006°
• γ: 90°
• Cell volume: 1131.7 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No