Information card for entry 1516222

Structure parameters

• Formula: C24 H31 N2 O6.5
• Calculated formula: C24 H31 N2 O6.5
• SMILES: O=C1O[C@@]23[C@@H]4N(CCC4)[C@@H](C2)[C@H](CC3=C1)C1=C2[C@]3([C@@H]4N(CCC4)[C@H]([C@H](O)C3)C2)OC1=O.O.O
• Title of publication: Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa
• Authors of publication: Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai
• Journal of publication: Organic Letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 3888 - 3891
• a: 7.4783 ± 0.0006 Å
• b: 11.5713 ± 0.0008 Å
• c: 13.3812 ± 0.0009 Å
• α: 107.895 ± 0.006°
• β: 90.072 ± 0.006°
• γ: 93.959 ± 0.006°
• Cell volume: 1098.97 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 1502295
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No