Information card for entry 4035088

Structure parameters

• Chemical name: t-Butyl 2-benzyl-5-{[4-(benzyloxy)phenyl]methyl}-2-hydroxy-3-methyl- 4-oxoimidazolidine-1-carboxylate
• Formula: C30 H34 N2 O5
• Calculated formula: C30 H34 N2 O5
• SMILES: O[C@@]1(N(C(=O)[C@@H](N1C(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1)C)Cc1ccccc1.O[C@]1(N(C(=O)[C@H](N1C(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1)C)Cc1ccccc1
• Title of publication: Strategies, Setbacks, and Successes in the Synthesis of (-)-Spiroleucettadine.
• Authors of publication: Lamb, Richard A.; Lucas, Nigel T.; Lessene, Guillaume; Hawkins, Bill C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 10120 - 10133
• a: 9.1299 ± 0.0002 Å
• b: 13.163 ± 0.0003 Å
• c: 23.1982 ± 0.0004 Å
• α: 97.047 ± 0.002°
• β: 91.529 ± 0.002°
• γ: 101.08 ± 0.002°
• Cell volume: 2711.64 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No