Information card for entry 4074202

Structure parameters

• Chemical name: Tetrakis-(4-methylcarboxylate-phenyl)stannane
• Formula: C32 H28 O8 Sn
• Calculated formula: C32 H28 O8 Sn
• SMILES: [Sn](c1ccc(cc1)C(=O)OC)(c1ccc(cc1)C(=O)OC)(c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC
• Title of publication: The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes
• Authors of publication: Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4207
• a: 8.5731 ± 0.0001 Å
• b: 8.5731 ± 0.0001 Å
• c: 39.7548 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2921.9 ± 0.07 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No