Information card for entry 2222699

Structure parameters

• Chemical name: 2-Hydroxybenzoic acid–purin-6-amine (3/1)
• Formula: C26 H23 N5 O9
• Calculated formula: C26 H23 N5 O9
• SMILES: Oc1ccccc1C(=O)O.Oc1ccccc1C(=O)O.Nc1ncnc2[nH]cnc12.Oc1ccccc1C(=O)O
• Title of publication: 2-Hydroxybenzoic acid–purin-6-amine (3/1)
• Authors of publication: Du, Lian-cai; Zeng, Wu-lan; Liu, Xue-ying; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1791
• a: 10.998 ± 0.002 Å
• b: 10.053 ± 0.002 Å
• c: 23.49 ± 0.007 Å
• α: 90°
• β: 106.98 ± 0.03°
• γ: 90°
• Cell volume: 2483.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes