Information card for entry 1505578

Structure parameters

• Formula: C16 H25 Br N2 O2 S
• Calculated formula: C16 H25 Br N2 O2 S
• SMILES: S1(=O)(=O)N([C@H](CN1C(C)(C)C)c1cc(Br)ccc1)C(C)(C)C
• Title of publication: Cu(I)-catalyzed intermolecular diamination of activated terminal olefins.
• Authors of publication: Zhao, Baoguo; Yuan, Weicheng; Du, Haifeng; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 4943 - 4945
• a: 11.1746 ± 0.0003 Å
• b: 11.3015 ± 0.0003 Å
• c: 14.1456 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1786.44 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No