Information card for entry 7051578

Structure parameters

• Formula: C20 H14 N2 O10
• Calculated formula: C20 H14 N2 O10
• SMILES: c1cc(ccn1=O)c1ccn(cc1)=O.c1(c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Title of publication: Supramolecular synthesis of some molecular adducts of 4,4′-bipyridine N,N′-dioxide
• Authors of publication: Arora, Kapildev K.; Talwelkar, Mayura S.; Pedireddi, V. R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 57
• a: 12.926 ± 0.005 Å
• b: 7.948 ± 0.003 Å
• c: 19.059 ± 0.007 Å
• α: 90°
• β: 106.54 ± 0.01°
• γ: 90°
• Cell volume: 1877 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No