Information card for entry 2010503

Structure parameters

• Chemical name: α-haloketal, (1'R,4S,5S)-Dimethyl 2-(1'-bromoethyl)-2- (3",4"-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
• Formula: C17 H21 Br O8
• Calculated formula: C17 H21 Br O8
• Title of publication: α-Haloketal (1'<i>R</i>,4<i>S</i>,5<i>S</i>)-dimethyl 2-(1'-bromoethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
• Authors of publication: Ferri, Pedro H.; Lariucci, Carlito; Homar, Leon I. B.; Santos, Raquel F.; Maia, Elaine R.; Santos, Lourivaldo S.; Vencato, Ivo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 118 - 120
• a: 9.728 ± 0.002 Å
• b: 8.414 ± 0.002 Å
• c: 11.674 ± 0.002 Å
• α: 90°
• β: 92.23 ± 0.03°
• γ: 90°
• Cell volume: 954.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes