Information card for entry 7219062

Structure parameters

• Formula: C26 H20 N2 O8
• Calculated formula: C26 H20 N2 O8
• SMILES: C(=O)(c1cccc(c1)C(=O)O)O.n1ccc(c2ccncc2)cc1.C(=O)(c1cc(ccc1)C(=O)O)O
• Title of publication: Acid base co‒crystal converted into porous carbon material for energy storage devices
• Authors of publication: Khan, Inayat Ali; Badshah, Amin; Altaf, Ataf Ali; Tahir, Muhammad Nawaz; haider, naghma; Nadeem, Muhammad
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 4.7699 ± 0.0003 Å
• b: 7.0007 ± 0.0005 Å
• c: 17.3241 ± 0.0013 Å
• α: 99.217 ± 0.004°
• β: 94.411 ± 0.004°
• γ: 95.138 ± 0.004°
• Cell volume: 566.28 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No