Information card for entry 4029547

Structure parameters

• Formula: C26 H41 N O7 Si
• Calculated formula: C26 H41 N O7 Si
• SMILES: [Si](OC[C@@H]1[C@@H]([C@H]1C(=O)c1c(OC)cccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)(C)(C)C(C)(C)C.[Si](OC[C@H]1[C@H]([C@@H]1C(=O)c1c(OC)cccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)OC)(C)(C)C(C)(C)C
• Title of publication: A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.
• Authors of publication: Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2633 - 2640
• a: 8.148 ± 0.002 Å
• b: 10.579 ± 0.003 Å
• c: 17.328 ± 0.005 Å
• α: 74.484 ± 0.012°
• β: 80.766 ± 0.015°
• γ: 88.909 ± 0.016°
• Cell volume: 1420.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No