Information card for entry 7119989

Structure parameters

• Formula: C42 H55 Cl2 N3 O8
• Calculated formula: C42 H55 Cl2 N3 O8
• Title of publication: Total Synthesis of Nannocystin Ax
• Authors of publication: Zhang, Yanhui; Liu, Rong; Liu, Bo
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.4214 ± 0.001 Å
• b: 11.6137 ± 0.0006 Å
• c: 16.9862 ± 0.0011 Å
• α: 90°
• β: 111.966 ± 0.008°
• γ: 90°
• Cell volume: 2638.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0881
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No