Information card for entry 1558188

Structure parameters

• Formula: C23 H22 Cl N O Sn
• Calculated formula: C23 H22 Cl N O Sn
• SMILES: [Sn]1(Cl)([N]2=C(OCC2(C)C)c2ccccc12)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes
• Authors of publication: Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 35
• a: 9.1303 ± 0.0004 Å
• b: 9.302 ± 0.0004 Å
• c: 24.2461 ± 0.0011 Å
• α: 90.942 ± 0.001°
• β: 91.775 ± 0.001°
• γ: 91.724 ± 0.001°
• Cell volume: 2056.99 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No