Information card for entry 1545925

Structure parameters

• Formula: C25 H30 Cl2 O6
• Calculated formula: C25 H30 Cl2 O6
• SMILES: Clc1c(O)c2c(c3c1O[C@]1([C@@H](O)C[C@H]4C(C(=O)[C@@H](Cl)C[C@@]4([C@@H]1C3)C)(C)C)C)C[C@H](OC2=O)C
• Title of publication: Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.
• Authors of publication: Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 1039 - 1047
• a: 11.0269 ± 0.0003 Å
• b: 13.3801 ± 0.0003 Å
• c: 16.14 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2381.31 ± 0.1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0786
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No