Information card for entry 1502294

Structure parameters

• Formula: C24 H26 N2 O6
• Calculated formula: C24 H26 N2 O6
• SMILES: O=C1O[C@@]23[C@@H]4N(CCC4)[C@@H](C2)[C@H]2ON4[C@H](CC[C@@H]4[C@H]2C3=C1)[C@@]12C[C@H](O)C=CC2=CC(=O)O1
• 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: 5.9124 ± 0.0001 Å
• b: 11.5275 ± 0.0002 Å
• c: 30.0634 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.98 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No