Information card for entry 4067528

Structure parameters

• Formula: C3 H6 As4 O3
• Calculated formula: C3 H6 As4 O3
• SMILES: [As]12O[As]3O[As](O[As](C3)C2)C1
• Title of publication: Arsenicin A, A Natural Polyarsenical: Synthesis and Crystal Structure
• Authors of publication: Lu, Di; Rae, A. David; Salem, Geoff; Weir, Michelle L.; Willis, Anthony C.; Wild, S. Bruce
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 32
• a: 7.3954 ± 0.0006 Å
• b: 11.4072 ± 0.001 Å
• c: 11.5554 ± 0.0009 Å
• α: 118.772 ± 0.003°
• β: 90.38 ± 0.003°
• γ: 90.766 ± 0.003°
• Cell volume: 854.3 ± 0.12 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1823
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No