Information card for entry 7226804

Structure parameters

• Formula: C30 H34 N2 O4
• Calculated formula: C30 H34 N2 O4
• SMILES: c1(ccccc1)CO[C@@H](C(=O)N1[C@@H](C(C)C)CN(C1=O)[C@H](C)c1ccccc1)[C@@H](c1ccccc1)O
• Title of publication: Anti selective glycolate aldol reactions of (S)-4-isopropyl-1-[(R)-1-phenylethyl]imidazolidin-2-one: application towards the asymmetric synthesis of 8-4'-oxyneolignans
• Authors of publication: Gangar, Mukesh; Ittuveetil, Avinash; Goyal, Sandeep; Pal, Anang; M., Harikrishnan; Nair, Vipin A.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4181 ± 0.0016 Å
• b: 13.682 ± 0.002 Å
• c: 18.006 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.063
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No