Information card for entry 8102592

Structure parameters

• Chemical name: N-benzyl-N-(1-(5-bromofuran-2-yl)-2-(tert- butylamino)-2-oxoethyl)-3-phenylpropiolamide
• Formula: C26 H25 Br N2 O3
• Calculated formula: C26 H25 Br N2 O3
• Title of publication: Crystal structure of N-benzyl-N-(1-(5-bromofuran-2-yl)-2-(tert-butylamino)-2-oxoethyl)-3-phenylpropiolamide, C26H25BrN2O3
• Authors of publication: Frank Rominger; Morteza Bararjanian; Saeed Balalaie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 83
• a: 24.29 ± 0.003 Å
• b: 7.4803 ± 0.0011 Å
• c: 13.3853 ± 0.0019 Å
• α: 90°
• β: 105.54 ± 0.003°
• γ: 90°
• Cell volume: 2343.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No