Information card for entry 2209525

Structure parameters

• Chemical name: (4-Aminobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)
• Formula: C37 H45 N O2 Sn
• Calculated formula: C37 H45 N O2 Sn
• SMILES: [Sn](OC(=O)c1ccc(N)cc1)(CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
• Title of publication: (4-Aminobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)
• Authors of publication: Ding, Yang-Jun; Zhao, Xia; Sun, Yu-Xi; Tian, Lai-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1673 - m1674
• a: 13.165 ± 0.001 Å
• b: 13.4984 ± 0.001 Å
• c: 38.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6842.9 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes