Information card for entry 2242009

Structure parameters

• Chemical name: 5-Amino-1-(2',3'-<i>O</i>-isopropylidene-<i>D</i>-ribityl)-1<i>H</i>-imidazole-4-carboxamide
• Formula: C12 H20 N4 O5
• Calculated formula: C12 H20 N4 O5
• SMILES: C1(C)(C)O[C@H]([C@@H]([C@@H](CO)O)O1)Cn1cnc(c1N)C(=O)N
• Title of publication: 5-Amino-1-(2',3'-<i>O</i>-isopropylidene-<small>D</small>-ribityl)-1<i>H</i>-imidazole-4-carboxamide: a crystal structure with <i>Z</i>' = 4
• Authors of publication: Piccialli, Vincenzo; Borbone, Nicola; Oliviero, Giorgia; Piccialli, Gennaro; D'Errico, Stefano; Centore, Roberto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 183 - 187
• a: 11.627 ± 0.004 Å
• b: 18.929 ± 0.004 Å
• c: 13.085 ± 0.003 Å
• α: 90°
• β: 93.67 ± 0.02°
• γ: 90°
• Cell volume: 2873.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes