Information card for entry 2011400

Structure parameters

• Common name: DL-Arginine
• Chemical name: DL-2-amino-5-guanidovaleric acid
• Formula: C6 H16 N4 O3
• Calculated formula: C6 H16 N4 O3
• SMILES: [O-]C(=O)C(N)CCCNC(=[NH2+])N.O
• Title of publication: <small>DL</small>-Arginine monohydrate at 100K
• Authors of publication: Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1274 - 1276
• a: 11.47 ± 0.003 Å
• b: 9.966 ± 0.006 Å
• c: 16.023 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1831.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No