Information card for entry 7057941

Structure parameters

• Formula: C41 H40 N2 O12
• Calculated formula: C41 H38 N2 O12
• Title of publication: Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives
• Authors of publication: Das, Debarati; Roy, Sandipan; Biradha, Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 19953
• a: 7.014 ± 0.003 Å
• b: 15.896 ± 0.006 Å
• c: 17.428 ± 0.007 Å
• α: 82.57 ± 0.019°
• β: 87.049 ± 0.012°
• γ: 79.316 ± 0.013°
• Cell volume: 1892.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2728
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.3124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No