Information card for entry 1513546

Structure parameters

• Formula: C35 H36 O4
• Calculated formula: C35 H36 O4
• SMILES: O=C1C(=C(OC)[C@H]2[C@](C1)(/C=C/c1ccccc1)[C@H](c1cc(OC)cc(O)c1)[C@H]2c1ccccc1)CC=C(C)C.O=C1C(=C(OC)[C@@H]2[C@@](C1)(/C=C/c1ccccc1)[C@@H](c1cc(OC)cc(O)c1)[C@@H]2c1ccccc1)CC=C(C)C
• Title of publication: (+)- and (-)-Cajanusine, a pair of new enantiomeric stilbene dimers with a new skeleton from the leaves of Cajanus cajan.
• Authors of publication: Li, Xiao-Long; Zhao, Bing-Xin; Huang, Xiao-Jun; Zhang, Dong-Mei; Jiang, Ren-Wang; Li, Ying-Jie; Jian, Yu-Qing; Wang, Ying; Li, Yao-Lan; Ye, Wen-Cai
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 224 - 227
• a: 10.2181 ± 0.0009 Å
• b: 10.6644 ± 0.001 Å
• c: 14.3363 ± 0.0011 Å
• α: 98.551 ± 0.007°
• β: 108.489 ± 0.007°
• γ: 101.04 ± 0.008°
• Cell volume: 1416.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.061
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No