Information card for entry 4026826

Structure parameters

• Common name: Compound 51, Tricycle bis-p-bromophenylamide
• Formula: C35 H33 Br2 N3 O4
• Calculated formula: C35 H31 Br2 N3 O4
• Title of publication: Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules
• Authors of publication: James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 160 - 172
• a: 14.634 ± 0.0004 Å
• b: 16.3527 ± 0.0004 Å
• c: 13.0268 ± 0.0003 Å
• α: 90°
• β: 92.626 ± 0.002°
• γ: 90°
• Cell volume: 3114.11 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No