Information card for entry 7124550

Structure parameters

• Common name: Y6-pBr
• Formula: C24 H16 Br N O2
• Calculated formula: C24 H16 Br N O2
• Title of publication: Catalytic enantioselective nucleophilic addition of ynamides to aldehydes.
• Authors of publication: Cook, Andrea M.; Wolf, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 3151 - 3154
• a: 6.677 ± 0.0008 Å
• b: 13.3668 ± 0.0016 Å
• c: 21.243 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No