Information card for entry 7157590

Structure parameters

• Formula: C16 H22 O4
• Calculated formula: C16 H22 O4
• SMILES: Oc1ccc2OC([C@@H]3[C@@H]([C@@H](O)c2c1)[C@@](O)(CC3)C)(C)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: 8.3946 ± 0.0002 Å
• b: 11.481 ± 0.0003 Å
• c: 15.2872 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.36 ± 0.06 ų
• Cell temperature: 292.64 ± 0.1 K
• Ambient diffraction temperature: 292.64 ± 0.1 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: 0.0319
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No