Information card for entry 7057937

Structure parameters

• Formula: C38 H33 N5 O7
• Calculated formula: C38 H33 N5 O7
• 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: 9.179 ± 0.009 Å
• b: 13.799 ± 0.009 Å
• c: 14.211 ± 0.01 Å
• α: 109.83 ± 0.03°
• β: 100.42 ± 0.06°
• γ: 97.41 ± 0.05°
• Cell volume: 1630 ± 2 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: 0.163
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No