Information card for entry 7121064

Structure parameters

• Chemical name: Diiodo-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-phenylstannane
• Formula: C20 H32 I2 O6 Sn
• Calculated formula: C20 H32 I2 O6 Sn
• SMILES: I[Sn]1(I)([O]2CC(C1)COCCOCCOCCOCCOCC2)c1ccccc1
• Title of publication: Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.
• Authors of publication: Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 739 - 742
• a: 13.1138 ± 0.0007 Å
• b: 14.1448 ± 0.0011 Å
• c: 14.5344 ± 0.0011 Å
• α: 90°
• β: 107.462 ± 0.004°
• γ: 90°
• Cell volume: 2571.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No