Information card for entry 2224286

Structure parameters

• Chemical name: 2-[(4-Hydroxyphenyl)diazenyl]benzoic acid‒<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxamide (2/1)
• Formula: C40 H34 N8 O8
• Calculated formula: C40 H34 N8 O8
• SMILES: O=C(C(=O)NCc1ccncc1)NCc1ccncc1.Oc1ccc(cc1)/N=N/c1ccccc1C(=O)O.Oc1ccc(cc1)/N=N/c1ccccc1C(=O)O
• Title of publication: 2-[(4-Hydroxyphenyl)diazenyl]benzoic acid‒<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxamide (2/1)
• Authors of publication: Arman, Hadi D.; Miller, Tyler; Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3178 - o3179
• a: 5.523 ± 0.003 Å
• b: 11.132 ± 0.004 Å
• c: 15.066 ± 0.007 Å
• α: 72.748 ± 0.016°
• β: 88.92 ± 0.02°
• γ: 79.43 ± 0.02°
• Cell volume: 869 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes