Information card for entry 7151269

Structure parameters

• Formula: C18 H23 N O7
• Calculated formula: C18 H23 N O7
• SMILES: N1C(=O)[C@@H]([C@](O)(C1(C(=O)OC)C(=O)OC)C)CCOCc1ccccc1.N1C(=O)[C@H]([C@@](O)(C1(C(=O)OC)C(=O)OC)C)CCOCc1ccccc1
• Title of publication: A concise total synthesis of salinosporamide A.
• Authors of publication: Mulholland, Nicholas P.; Pattenden, Gerald; Walters, Iain A. S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 2845 - 2846
• a: 14.292 ± 0.006 Å
• b: 11.057 ± 0.004 Å
• c: 11.287 ± 0.005 Å
• α: 90°
• β: 92.09 ± 0.007°
• γ: 90°
• Cell volume: 1782.5 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No