Information card for entry 2200792

Structure parameters

• Chemical name: Acridine‒isophthalic acid
• Formula: C21 H15 N O4
• Calculated formula: C21 H15 N O4
• SMILES: c12ccccc1cc1ccccc1[nH+]2.c1(cc(ccc1)C(=O)O)C(=O)[O-]
• Title of publication: Acridinium isophthalate
• Authors of publication: Shaameri, Zurina; Shan, Ning; Jones, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o945 - o946
• a: 8.5196 ± 0.0009 Å
• b: 9.144 ± 0.001 Å
• c: 11.386 ± 0.004 Å
• α: 69.41 ± 0.02°
• β: 89.44 ± 0.01°
• γ: 84.22 ± 0.01°
• Cell volume: 825.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes