Information card for entry 7160770

Structure parameters

• Formula: C55 H67 Ag3 F18 N6 O2
• Calculated formula: C55 H67 Ag3 F18 N6 O2
• Title of publication: Phylogeny-directed discovery and mutagenesis of a tricyclic gersemiane synthase.
• Authors of publication: Chen, Xiaochen; Chen, Bao; Xu, Baofu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9635 - 9643
• a: 12.021 ± 0.0005 Å
• b: 15.33 ± 0.0006 Å
• c: 17.4835 ± 0.0007 Å
• α: 84.639 ± 0.002°
• β: 71.705 ± 0.002°
• γ: 85.554 ± 0.002°
• Cell volume: 3041.7 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No