Information card for entry 1504153

Structure parameters

• Formula: C34 H25 Br N4
• Calculated formula: C34 H25 Br N4
• SMILES: Brc1c([C@@H]([C@H](N=C(c2ccccc2)c2ccccc2)c2ccc(cc2)C#N)C(CC=C)(C#N)C#N)cccc1.Brc1c([C@H]([C@@H](N=C(c2ccccc2)c2ccccc2)c2ccc(cc2)C#N)C(CC=C)(C#N)C#N)cccc1
• Title of publication: Tandem C-C bond-forming processes: interception of the pd-catalyzed decarboxylative allylation of allyl diphenylglycinate imines with activated olefins.
• Authors of publication: Yeagley, Andrew A.; Lowder, Melissa A.; Chruma, Jason J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 4022 - 4025
• a: 9.5831 ± 0.0004 Å
• b: 13.0254 ± 0.0005 Å
• c: 23.2091 ± 0.0009 Å
• α: 90°
• β: 96.634 ± 0.001°
• γ: 90°
• Cell volume: 2877.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1878
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No