Information card for entry 4103240

Structure parameters

• Formula: C38 H38 N4 O4
• Calculated formula: C38 H38 N4 O4
• SMILES: O=C1N(CC[C@]23[C@@]4(CCN(C4=O)[C@H](c4ccccc4)C)c4ccccc4N[C@H]2N(c2ccccc32)C)C(=O)c2c1cccc2.OC
• Title of publication: Total Synthesis of (+)-Perophoramidine and Determination of the Absolute Configuration
• Authors of publication: Haoxing Wu; Fei Xue; Xue Xiao; Yong Qin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14052 - 14054
• a: 7.365 ± 0.002 Å
• b: 23.739 ± 0.006 Å
• c: 9.854 ± 0.003 Å
• α: 90°
• β: 109.818 ± 0.003°
• γ: 90°
• Cell volume: 1620.8 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No