Information card for entry 1552648

Structure parameters

• Formula: C30 H38 O7
• Calculated formula: C30 H38 O7
• SMILES: O[C@]1([C@]23C[C@]4(C(=O)O[C@H]5[C@H]4[C@@H](O)C[C@@](O)([C@@H]4CC=C(C)[C@H]54)C)[C@@]([C@@H]3[C@H]3OC(=O)C(=C)[C@@H]3CC1)(C=C2)C)C
• Title of publication: Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum.
• Authors of publication: Luo, Pan; Cheng, Yanfang; Yin, Zhiyong; Li, Chanjuan; Xu, Jun; Gu, Qiong
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 349 - 357
• a: 9.74469 ± 0.00007 Å
• b: 11.28356 ± 0.00007 Å
• c: 11.95583 ± 0.00009 Å
• α: 90°
• β: 102.322 ± 0.0007°
• γ: 90°
• Cell volume: 1284.31 ± 0.016 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No