Information card for entry 1573177

Structure parameters

• Formula: C30 H51 N O5
• Calculated formula: C30 H51 N O5
• SMILES: O[C@H]1CC[C@@H]2C(=CC[C@@H]3[C@@](CC/C(=C/CC[C@H](NC(=O)C)C(=O)O)C)([C@H](CC[C@@]23C)C)C)C1(C)C.O
• Title of publication: Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.
• Authors of publication: Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 310 - 317
• a: 7.2412 ± 0.0002 Å
• b: 12.2368 ± 0.0004 Å
• c: 34.0916 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.83 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No