Information card for entry 7713647

Structure parameters

• Formula: C48 H61 N2 O7 Sb
• Calculated formula: C48 H61 N2 O7 Sb
• SMILES: [Sb](O)(c1c(C(C)C)cccc1C(C)C)(c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C.[O-]c1ccc(N(=O)=O)cc1.Oc1ccc(N(=O)=O)cc1
• Title of publication: Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.
• Authors of publication: Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 15.7304 ± 0.0003 Å
• b: 18.484 ± 0.0003 Å
• c: 15.761 ± 0.0003 Å
• α: 90°
• β: 101.383 ± 0.002°
• γ: 90°
• Cell volume: 4492.54 ± 0.14 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No