Information card for entry 4509735

Structure parameters

• Formula: C28 H26 N2 O8
• Calculated formula: C27 H22 N2 O7
• SMILES: O=C1C(=C\c2ccncc2)\CCC/C1=C\c1ccncc1.OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O
• Title of publication: Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials
• Authors of publication: Santra, Ramkinkar; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4969
• a: 23.612 ± 0.002 Å
• b: 15.0618 ± 0.0012 Å
• c: 17.8456 ± 0.0015 Å
• α: 90°
• β: 128.492 ± 0.002°
• γ: 90°
• Cell volume: 4967.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No