Information card for entry 4076409

Structure parameters

• Formula: C3 H6 As4 I6
• Calculated formula: C3 H6 As4 I6
• SMILES: I[As](I)C[As](I)C[As](I)C[As](I)I
• Title of publication: Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity
• Authors of publication: Lu, Di; Coote, Michelle L.; Ho, Junming; Kilah, Nathan L.; Lin, Ching-Yeh; Salem, Geoff; Weir, Michelle L.; Willis, Anthony C.; Wild, S. Bruce; Dilda, Pierre J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1808
• a: 9.3774 ± 0.0002 Å
• b: 19.0852 ± 0.0003 Å
• c: 10.0191 ± 0.0002 Å
• α: 90°
• β: 94.8205 ± 0.0013°
• γ: 90°
• Cell volume: 1786.77 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9534
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No