Information card for entry 7160665

Structure parameters

• Formula: C23 H34 O5
• Calculated formula: C23 H34 O5
• Title of publication: Genome mining reveals a highly oxidized bacterial perhydrophenanthrene meroterpenoid smelanic acid.
• Authors of publication: Yang, Ziyi; Pan, Xingming; Deng, Lianchun; Wang, Zengyuan; Li, Fang-Ru; Lin, Xiaoxu; Xu, Hui-Min; Dong, Liao-Bin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 7773 - 7779
• a: 18.0532 ± 0.0005 Å
• b: 18.0532 ± 0.0005 Å
• c: 6.4334 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2096.76 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No