Information card for entry 7154992

Structure parameters

• Chemical name: WYC011632
• Formula: C21 H18 Br F3 O4
• Calculated formula: C21 H18 Br F3 O4
• Title of publication: A convenient method for the synthesis of α-carboxylate ester bromolactones via bromolactonization of alkenoic diesters.
• Authors of publication: Wong, Ying-Chieh; Yeung, Ying-Yeung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3202 - 3206
• a: 12.2059 ± 0.0008 Å
• b: 9.9555 ± 0.0006 Å
• c: 16.3557 ± 0.0011 Å
• α: 90°
• β: 95.472 ± 0.002°
• γ: 90°
• Cell volume: 1978.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No