Information card for entry 7157588

Structure parameters

• Formula: C16 H22 O5
• Calculated formula: C16 H22 O5
• 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: 32.6901 ± 0.0005 Å
• b: 12.36143 ± 0.00017 Å
• c: 7.35394 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971.7 ± 0.08 ų
• Cell temperature: 294.04 ± 0.1 K
• Ambient diffraction temperature: 294.04 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No