Information card for entry 1573176

Structure parameters

• Formula: C31 H51 N O5
• Calculated formula: C31 H51 N O5
• SMILES: O=C1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@H](C)[C@]3(C)CC/C(=C/CC[C@H](NC(=O)C)C(=O)O)C)C1(C)C.OC
• 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: 13.5566 ± 0.0003 Å
• b: 6.1185 ± 0.0002 Å
• c: 34.8632 ± 0.0008 Å
• α: 90°
• β: 91.681 ± 0.001°
• γ: 90°
• Cell volume: 2890.52 ± 0.13 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No