Information card for entry 4021537

Structure parameters

• Common name: 04208a
• Chemical name: (3-[3R-Benzyl-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-ylmethyl) -2-oxo-pyrrolidin-3-yl]-4S-phenyl-oxazolidin-2-one (15a)
• Formula: C27 H30 N2 O6
• Calculated formula: C27 H30 N2 O6
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)[C@]1(C(=O)N(CC1)CC12OCC(CO1)(CO2)C)Cc1ccccc1
• 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: 9.2415 ± 0.0008 Å
• b: 11.7262 ± 0.001 Å
• c: 11.7251 ± 0.001 Å
• α: 90°
• β: 110.305 ± 0.001°
• γ: 90°
• Cell volume: 1191.66 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No