Information card for entry 1516080

Structure parameters

• Formula: C15 H29 N O3 Si
• Calculated formula: C15 H28.5 N O3 Si
• SMILES: CC(C)(C)[Si](C)(C)OCC[C@H]1[C@H]([C@@H](C)C=C)OC(=O)N1
• Title of publication: Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2'-amino-4'-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)
• Authors of publication: Kashinath, K.; Vasudevan, N.; Reddy, D. Srinivasa
• Journal of publication: Organic Letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6222 - 6225
• a: 6.8088 ± 0.0005 Å
• b: 8.1381 ± 0.0006 Å
• c: 32.921 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1824.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1508808
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No