Information card for entry 7111723

Structure parameters

• Formula: C64 H87 Cl4 N4 O16
• Calculated formula: C64 H87 Cl4 N4 O16
• Title of publication: A1,3-strain enabled retention of chirality during bis-cyclization of β-ketoamides: total synthesis of (−)-salinosporamide A and (−)-homosalinosporamide A
• Authors of publication: Nguyen, Henry; Ma, Gil; Romo, Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4803 - 4805
• a: 9.694 ± 0.003 Å
• b: 25.624 ± 0.009 Å
• c: 13.118 ± 0.004 Å
• α: 90°
• β: 93.571 ± 0.013°
• γ: 90°
• Cell volume: 3252.2 ± 1.8 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No