Information card for entry 7251379

Structure parameters

• Formula: C6 H8 As N O3
• Calculated formula: C6 H8 As N O3
• Title of publication: Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments
• Authors of publication: Balmohammadi, Yaser; Metry, Eduardo; Malaspina, Lorraine A.; Cametti, Georgia; Nakamura, Yuiga; Grabowsky, Simon
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 54
• Pages of publication: 46749 - 46760
• a: 7.23374 ± 0.00004 Å
• b: 6.13187 ± 0.00002 Å
• c: 8.69579 ± 0.00005 Å
• α: 90°
• β: 101.094 ± 0.0006°
• γ: 90°
• Cell volume: 378.505 ± 0.003 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0069
• Residual factor for significantly intense reflections: 0.0069
• Weighted residual factors for significantly intense reflections: 0.0164
• Weighted residual factors for all reflections included in the refinement: 0.0164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2662
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No