Information card for entry 7157591

Structure parameters

• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: Oc1c2[C@@H](OC)[C@@H]3[C@](O)(CC[C@H]3C(c2c(O)cc1)(C)C)C.Oc1c2[C@H](OC)[C@H]3[C@@](O)(CC[C@@H]3C(c2c(O)cc1)(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: 27.5479 ± 0.0008 Å
• b: 6.3331 ± 0.0002 Å
• c: 18.4336 ± 0.0005 Å
• α: 90°
• β: 91.28 ± 0.003°
• γ: 90°
• Cell volume: 3215.19 ± 0.16 ų
• Cell temperature: 292.1 ± 0.1 K
• Ambient diffraction temperature: 292.1 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No