Information card for entry 7057935

Structure parameters

• Formula: C27 H18 O9
• Calculated formula: C27 H16 O9
• 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: 12.2928 ± 0.0016 Å
• b: 13.0408 ± 0.0015 Å
• c: 27.679 ± 0.004 Å
• α: 90°
• β: 93.341 ± 0.004°
• γ: 90°
• Cell volume: 4429.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No