Information card for entry 1554404

Structure parameters

• Chemical name: zwm-132
• Formula: C29 H37 N O7
• Calculated formula: C29 H37 N O7
• SMILES: N(c1c(cccc1)[C@@]1(O)C(=O)[C@@]2([C@@]3([C@@](O)(CC[C@H]2C1)C1=CC(=O)[C@H](O[C@H]1CC3)C(O)(C)C)C)C)C(=O)C
• Title of publication: Secopaxilline A, an indole-diterpenoid derivative from an aciduric Penicillium fungus, its identification and semisynthesis
• Authors of publication: Fan, Yaqin; Wang, Yi; Fu, Peng; Chairoungdua, Arthit; Piyachaturawat, Pawinee; Zhu, Weiming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 19
• Pages of publication: 2835
• a: 12.2892 ± 0.0006 Å
• b: 11.6999 ± 0.0005 Å
• c: 19.3795 ± 0.0009 Å
• α: 90°
• β: 103.521 ± 0.005°
• γ: 90°
• Cell volume: 2709.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No