Information card for entry 4508136

Structure parameters

• Chemical name: (3-hydroxybenzoic acid).bis(acridine)
• Formula: C33 H24 N2 O3
• Calculated formula: C33 H24 N2 O3
• SMILES: c1(cc(ccc1)O)C(=O)O.c12ccccc1cc1ccccc1n2.c12ccccc1cc1ccccc1n2
• Title of publication: Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds
• Authors of publication: Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3935
• a: 10.222 ± 0.003 Å
• b: 11.687 ± 0.003 Å
• c: 11.903 ± 0.003 Å
• α: 110.667 ± 0.005°
• β: 99.266 ± 0.006°
• γ: 100.742 ± 0.006°
• Cell volume: 1266.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1179
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No