Information card for entry 4073712

Structure parameters

• Formula: C34 H40 O2 Sn
• Calculated formula: C34 H40 O2 Sn
• SMILES: [Sn](c1c(cccc1COC(C)(C)C)COC(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6312
• a: 19.945 ± 0.0001 Å
• b: 9.597 ± 0.0002 Å
• c: 31.168 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5965.93 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No