Information card for entry 1543149

Structure parameters

• Formula: C25 H28 O7
• Calculated formula: C25 H28 O7
• SMILES: O1[C@]23[C@@]4(C(=O)OC2)C(=O)[C@@]1(C(=O)[C@@]3(C[C@H]1C(=C2C(=CC[C@]41C)C(OC(=O)C2)(C)C)C)C)C
• Title of publication: Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.
• Authors of publication: Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 1415 - 1422
• a: 11.6475 ± 0.0011 Å
• b: 12.2234 ± 0.0007 Å
• c: 15.9268 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.5 ± 0.3 ų
• Cell temperature: 101.8 K
• Ambient diffraction temperature: 101.8 K
• Number of distinct elements: 3
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No