Information card for entry 4021536

Structure parameters

• Common name: 04022a
• Chemical name: 3-[3R-Benzyl-1-(4-methoxybenzyl)-2-oxo-pyrrolidin-3-yl] -4S-phenyl-oxazolidin-2-one (7a)
• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• SMILES: O=C1N(CC[C@]1(N1C(=O)OC[C@@H]1c1ccccc1)Cc1ccccc1)Cc1ccc(OC)cc1
• Title of publication: Short Stereoselective Synthesis of α-Substitute γ-Lactams
• Authors of publication: Bhooma Raghavan; Rodney L. Johnson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2151 - 2154
• a: 9.7028 ± 0.0013 Å
• b: 10.3326 ± 0.0014 Å
• c: 22.559 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2261.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No