Information card for entry 4110459

Structure parameters

• Formula: C73 H62 O12 P3 Se3
• Calculated formula: C73 H62 O12 P3 Se3
• SMILES: [Se](=O)(=O)([O-])OCO[Se](=O)(=O)[O-].[Se](=O)(=O)(O)[O-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Alkylation of Inorganic Oxo Compounds and Insights on Preventing DNA Damage
• Authors of publication: Elizabeth E. Hamilton; Phillip E. Fanwick; Jonathan J. Wilker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 3388 - 3395
• a: 11.2388 ± 0.0006 Å
• b: 14.2154 ± 0.001 Å
• c: 22.1303 ± 0.0011 Å
• α: 79.479 ± 0.004°
• β: 82.355 ± 0.003°
• γ: 67.324 ± 0.004°
• Cell volume: 3199.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No