Information card for entry 7153170

Structure parameters

• Formula: C44 H52 O13
• Calculated formula: C44 H52 O13
• Title of publication: Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.
• Authors of publication: Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 43
• Pages of publication: 7574 - 7586
• a: 8.1666 ± 0.0008 Å
• b: 12.3232 ± 0.001 Å
• c: 20.795 ± 0.002 Å
• α: 85.685 ± 0.008°
• β: 80.44 ± 0.008°
• γ: 89.993 ± 0.007°
• Cell volume: 2057.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2977
• Weighted residual factors for all reflections included in the refinement: 0.3393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No