Information card for entry 2228833

Structure parameters

• Chemical name: Acridine‒benzene-1,3,5-tricarboxylic acid (3/1)
• Formula: C48 H33 N3 O6
• Calculated formula: C48 H33 N3 O6
• SMILES: c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O.c12ccccc1cc1ccccc1n2.c12ccccc1cc1ccccc1n2.c12ccccc1cc1ccccc1n2
• Title of publication: Acridine‒benzene-1,3,5-tricarboxylic acid (3/1)
• Authors of publication: Aghabozorg, Hossein; Goodarzi, Saba; Mirzaei, Masoud; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o126
• a: 12.031 ± 0.002 Å
• b: 13.113 ± 0.003 Å
• c: 13.22 ± 0.003 Å
• α: 77.44 ± 0.03°
• β: 71.43 ± 0.03°
• γ: 72.23 ± 0.03°
• Cell volume: 1865.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes