Information card for entry 1518585

Structure parameters

• Formula: C33 H35 Au Br Cl3 N O2 P
• Calculated formula: C33 H35 Au Br Cl3 N O2 P
• SMILES: [Au](Cl)[P](c1c(c(Br)cc(c1OC)c1ccccc1)C(=O)N(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Regioselective derivatizations of a tribrominated atropisomeric benzamide scaffold.
• Authors of publication: Barrett, Kimberly T.; Miller, Scott J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 580 - 583
• a: 9.848 ± 0.0004 Å
• b: 24.3169 ± 0.0011 Å
• c: 15.0477 ± 0.001 Å
• α: 90°
• β: 104.667 ± 0.007°
• γ: 90°
• Cell volume: 3486.1 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No