Information card for entry 7102620

Structure parameters

• Formula: C14 H18 Br F2 N O5
• Calculated formula: C14 H18 Br F2 N O5
• 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: 11.666 ± 0.0009 Å
• b: 8.0535 ± 0.0006 Å
• c: 18.3629 ± 0.0014 Å
• α: 90°
• β: 102.715 ± 0.001°
• γ: 90°
• Cell volume: 1682.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No