Information card for entry 7121062

Structure parameters

• Chemical name: Dibromo-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-phenylstannane
• Formula: C20 H32 Br2 O6 Sn
• Calculated formula: C20 H32 Br2 O6 Sn
• 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: 9.4436 ± 0.0004 Å
• b: 14.3024 ± 0.0007 Å
• c: 18.053 ± 0.0008 Å
• α: 90°
• β: 98.649 ± 0.002°
• γ: 90°
• Cell volume: 2410.62 ± 0.19 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: 0.0587
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No