Information card for entry 7102619

Structure parameters

• Formula: C14 H19 Cl4 F2 N O5 Sn
• Calculated formula: C14 H19 Cl4 F2 N O5 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)[O]=C(OCC)[C@]2(OC(N(CC)CC)=[O]1)[C@@H]1O[C@H](C2(F)F)C=C1.[Sn]1(Cl)(Cl)(Cl)(Cl)[O]=C(OCC)[C@@]2(OC(N(CC)CC)=[O]1)[C@H]1O[C@@H](C2(F)F)C=C1
• Title of publication: A surprising steric effect on a tandem cycloaddition/ring-opening reaction: rapid syntheses of difluorinated analogues of (hydroxymethyl)conduritols.
• Authors of publication: Fawcett, John; Moralee, Andrew C; Percy, Jonathan M; Salafia, Vittoria; Vincent, Mark A; Hillier, Ian H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1062 - 1063
• a: 10.4879 ± 0.0011 Å
• b: 18.8071 ± 0.0019 Å
• c: 10.7203 ± 0.0011 Å
• α: 90°
• β: 102.993 ± 0.002°
• γ: 90°
• Cell volume: 2060.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No