Information card for entry 1506573

Structure parameters

• Formula: C18 H25 Br N2 O3
• Calculated formula: C18 H25 Br N2 O3
• SMILES: Brc1ccc(cc1)[C@H]1[C@@]([C@H](C)ON1C)(C)C(=O)NC(=O)C(C)(C)C.Brc1ccc(cc1)[C@@H]1[C@]([C@@H](C)ON1C)(C)C(=O)NC(=O)C(C)(C)C
• Title of publication: Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.
• Authors of publication: Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2349 - 2352
• a: 13.274 ± 0.003 Å
• b: 12.007 ± 0.002 Å
• c: 12.039 ± 0.002 Å
• α: 90°
• β: 94.65 ± 0.03°
• γ: 90°
• Cell volume: 1912.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No