Information card for entry 2244053

Structure parameters

• Common name: Ceftibuten 2.652-hydrate
• Chemical name: (6<i>R</i>,7<i>R</i>)-7-{[(<i>Z</i>)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2.652-hydrate
• Formula: C15 H19.3 N4 O8.65 S2
• Calculated formula: C15 H19.304 N4 O8.652 S2
• Title of publication: Crystal structures of anhydrous and hydrated ceftibuten
• Authors of publication: Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 4.669 ± 0.0001 Å
• b: 17.8029 ± 0.0004 Å
• c: 23.1486 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1924.15 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes