Information card for entry 7157589

Structure parameters

• Formula: C19 H26 O4
• Calculated formula: C19 H26 O4
• SMILES: O1[C@H]2[C@H]3[C@H](C(c4c2c(OC1(C)C)ccc4O)(C)C)CC[C@]3(O)C.O1[C@@H]2[C@@H]3[C@@H](C(c4c2c(OC1(C)C)ccc4O)(C)C)CC[C@@]3(O)C
• Title of publication: Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.
• Authors of publication: Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 30
• Pages of publication: 5850 - 5856
• a: 10.2175 ± 0.0005 Å
• b: 13.7827 ± 0.0005 Å
• c: 12.933 ± 0.0005 Å
• α: 90°
• β: 111.529 ± 0.005°
• γ: 90°
• Cell volume: 1694.22 ± 0.14 ų
• Cell temperature: 293.83 ± 0.1 K
• Ambient diffraction temperature: 293.83 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No