Information card for entry 2018735

Structure parameters

• Chemical name: (<i>S</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)
• Formula: C18 H21 N O3 Sn
• Calculated formula: C18 H21 N O3 Sn
• SMILES: [Sn]12(Oc3c(c4ccccc4cc3)C=[N]2[C@H](C(O1)=O)C(C)C)(C)C
• Title of publication: Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)
• Authors of publication: Böhme, Uwe; Fels, Sabine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 44 - 46
• a: 11.6246 ± 0.0005 Å
• b: 11.6246 ± 0.0005 Å
• c: 11.5864 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1355.92 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes