Information card for entry 2008375

Structure parameters

• Chemical name: (2S,4S,5R,6S)-2-benzylcarbamoyl-6-bromo-3,3-dimethyl-4-thia-1- -azabicyclo[3.2.0]heptan-7-one 4-oxide hydrate
• Formula: C15 H19 Br N2 O4 S
• Calculated formula: C15 H19 Br N2 O4 S
• Title of publication: Two novel optically active penam derivatives
• Authors of publication: Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 656 - 659
• a: 9.798 ± 0.003 Å
• b: 18.752 ± 0.004 Å
• c: 19.246 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.1 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.28
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.178
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for significantly intense reflections: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No