Information card for entry 2227185

Structure parameters

• Chemical name: Acridinium 2-hydroxybenzoate
• Formula: C20 H15 N O3
• Calculated formula: C20 H15 N O3
• SMILES: C(=O)(c1c(cccc1)O)[O-].c12c(cc3c(cccc3)[nH+]2)cccc1
• Title of publication: Acridinium 2-hydroxybenzoate
• Authors of publication: Eshtiagh-Hosseini, Hossein; Hassanpoor, Azam; Mirzaei, Masoud; Salimi, Ali R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2996
• a: 7.128 ± 0.003 Å
• b: 9.472 ± 0.003 Å
• c: 22.637 ± 0.009 Å
• α: 90°
• β: 91.449 ± 0.01°
• γ: 90°
• Cell volume: 1527.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes