Information card for entry 2001963

Structure parameters

• Formula: C19 H24 N4 O6.5 P S
• Calculated formula: C19 H25 N4 O7 P S
• Title of publication: Structure of benfotiamine hemihydrate
• Authors of publication: Shin, W.; Cho, S. W.; Chae, C. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 294 - 298
• a: 16.822 ± 0.005 Å
• b: 18.556 ± 0.006 Å
• c: 14.429 ± 0.005 Å
• α: 90°
• β: 105.52 ± 0.03°
• γ: 90°
• Cell volume: 4340 ± 3 ų
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No