Information card for entry 1520694

Structure parameters

• Formula: C33 H27 N3 O13
• Calculated formula: C33 H27 N3 O13
• Title of publication: Synthesis of Tricyclo[4,3,1,0(1,5)]decane Core of Plumisclerin A Using Pauson-Khand Annulation and SmI2-Mediated Radical Cyclization.
• Authors of publication: Chen, Ji-Peng; He, Wei; Yang, Zhen-Yu; Yao, Zhu-Jun
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3379 - 3381
• a: 11.319 ± 0.003 Å
• b: 12.665 ± 0.003 Å
• c: 14.597 ± 0.003 Å
• α: 86.284 ± 0.004°
• β: 86.306 ± 0.004°
• γ: 68.207 ± 0.003°
• Cell volume: 1937.1 ± 0.8 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No