Information card for entry 4511263

Structure parameters

• Formula: C11 H20 N8 O2
• Calculated formula: C11 H20 N8 O2
• SMILES: n1c(nc2c(nc[nH]2)c1N)N.O=CN(C)C.N(C=O)(C)C
• Title of publication: Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine
• Authors of publication: Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3634
• a: 13.978 ± 0.004 Å
• b: 8.0838 ± 0.0019 Å
• c: 13.895 ± 0.004 Å
• α: 90°
• β: 105.158 ± 0.004°
• γ: 90°
• Cell volume: 1515.4 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No