Information card for entry 1518604

Structure parameters

• Formula: C23 H38 N2 O2 Si
• Calculated formula: C23 H38 N2 O2 Si
• SMILES: [Si](OC(=C)[C@H]1C(=O)N([C@H]1c1ccc(N(C)C)cc1)C(C)(C)C)(C)(C)C(C)(C)C
• Title of publication: Enantioselective cis-β-lactam synthesis by intramolecular C-H functionalization from enoldiazoacetamides and derivative donor-acceptor cyclopropenes.
• Authors of publication: Xu, Xinfang; Deng, Yongming; Yim, David N.; Zavalij, Peter Y.; Doyle, Michael P.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2196 - 2201
• a: 11.9997 ± 0.0004 Å
• b: 12.0093 ± 0.0004 Å
• c: 16.8043 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2421.63 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No