Information card for entry 4129456

Structure parameters

• Formula: C30 H36 N2 O7
• Calculated formula: C30 H36 N2 O7
• SMILES: c12ccccc1[C@@]1(C[C@@H](C(=O)OC)N([C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccc(cc1)C(=O)C
• Title of publication: Nickel-Catalyzed Reductive Coupling of Aryl Bromides with Tertiary Alkyl Halides.
• Authors of publication: Wang, Xuan; Wang, Shulin; Xue, Weichao; Gong, Hegui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 36
• Pages of publication: 11562 - 11565
• a: 10.563 ± 0.012 Å
• b: 13.746 ± 0.015 Å
• c: 10.995 ± 0.012 Å
• α: 90°
• β: 113.422 ± 0.013°
• γ: 90°
• Cell volume: 1465 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No