Information card for entry 1503272

Structure parameters

• Formula: C22 H31 N O6 Si0
• Calculated formula: C22 H31 N O6
• SMILES: C1(=O)[C@H]([C@@H]([C@@H](COC(=O)C(C)(C)C)N1)Cc1ccc(cc1)OC)C1(C)OCCO1.C1(=O)[C@@H]([C@H]([C@H](COC(=O)C(C)(C)C)N1)Cc1ccc(cc1)OC)C1(C)OCCO1
• Title of publication: Di- and trisubstituted γ-lactams via Rh(II)-carbenoid reaction of N-Cα-branched, N-bis(trimethylsilyl)methyl α-diazoamides. Synthesis of (±)-α-allokainic acid.
• Authors of publication: Zhang, Bao; Wee, Andrew G. H.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5386 - 5389
• a: 21.7453 ± 0.0016 Å
• b: 18.8909 ± 0.0014 Å
• c: 21.9832 ± 0.0016 Å
• α: 90°
• β: 100.632 ± 0.001°
• γ: 90°
• Cell volume: 8875.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No