Information card for entry 1505326

Structure parameters

• Formula: C33 H36 O8
• Calculated formula: C33 H36 O8
• SMILES: O[C@@]12[C@@H]3[C@@H](C3)[C@]3(C1=C(C(=C(\C(=O)OC)C)\C(=O)C3)[C@]13OC(=O)C(=C1[C@H](OC(=O)C)[C@H]1C(=C)[C@@H]4[C@@H](C4)[C@@]1([C@@H]3C2)C)C)C
• Title of publication: Chlorahololides A and B, two potent and selective blockers of the potassium channel isolated from Chloranthus holostegius.
• Authors of publication: Yang, Sheng-Ping; Gao, Zhao-Bing; Wang, Fang-Dao; Liao, Shang-Gao; Chen, Hua-Dong; Zhang, Chuan-Rui; Hu, Guo-Yuan; Yue, Jian-Min
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 903 - 906
• a: 17.216 ± 0.006 Å
• b: 11.078 ± 0.006 Å
• c: 16.173 ± 0.007 Å
• α: 90 ± 0.04°
• β: 108.63 ± 0.04°
• γ: 90 ± 0.04°
• Cell volume: 2923 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No