Information card for entry 7153513

Structure parameters

• Formula: C37 H38 N6 O7
• Calculated formula: C37 H38 N6 O7
• Title of publication: Concise total synthesis and structural revision of (+)-pestalazine B.
• Authors of publication: Pérez-Balado, Carlos; de Lera, Angel R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5179 - 5186
• a: 12.0209 ± 0.0008 Å
• b: 12.0209 ± 0.0008 Å
• c: 25.881 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3739.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No