Information card for entry 7057943

Structure parameters

• Formula: C40 H35 N5 O6
• Calculated formula: C40 H34 N5 O6
• 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: 8.4 ± 0.05 Å
• b: 13.02 ± 0.06 Å
• c: 15.42 ± 0.07 Å
• α: 92.7 ± 0.2°
• β: 98.8 ± 0.2°
• γ: 96.2 ± 0.3°
• Cell volume: 1653 ± 15 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: 0.1968
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No