Information card for entry 2008271

Structure parameters

• Chemical name: Guanine dihydrochloride
• Formula: C5 H7 Cl2 N5 O
• Calculated formula: C5 H7 Cl2 N5 O
• SMILES: [Cl-].[Cl-].O=c1[nH]c([nH+]c2c1[nH+]c[nH]2)N
• Title of publication: Guaninium dichloride
• Authors of publication: Matković-Čalogović, Dubravka; Sanković, Krešimir
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 467 - 469
• a: 13.59 ± 0.002 Å
• b: 6.581 ± 0.0011 Å
• c: 9.9321 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 888.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes