Information card for entry 1505564

Structure parameters

• Formula: C33 H30 Br2 N2 O2 S
• Calculated formula: C33 H30 Br2 N2 O2 S
• SMILES: Brc1ccccc1[C@@H]1[C@]([C@H](C(=O)N1Cc1ccccc1Br)C)(C(=O)NCc1ccccc1)Sc1ccc(cc1)C.Brc1ccccc1[C@H]1[C@@]([C@@H](C(=O)N1Cc1ccccc1Br)C)(C(=O)NCc1ccccc1)Sc1ccc(cc1)C
• Title of publication: Diastereoselective synthesis of gamma-lactams by a one-pot, four-component reaction.
• Authors of publication: Wei, Jingqiang; Shaw, Jared T.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 4077 - 4080
• a: 9.8222 ± 0.0017 Å
• b: 12.934 ± 0.002 Å
• c: 14.118 ± 0.003 Å
• α: 113.965 ± 0.002°
• β: 93.434 ± 0.003°
• γ: 109.602 ± 0.003°
• Cell volume: 1503.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No