Information card for entry 1529470

Structure parameters

• Formula: C22 H33 N O3.5
• Calculated formula: C22 H33 N O3.5
• SMILES: N1C(=O)[C@]23[C@H]([C@@H]1CC(C)C)[C@@H](C(=C[C@@H]2C[C@]1(O[C@@H]2C[C@H]1[C@@]3(O)C2)C)C)C.O
• Title of publication: Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.
• Authors of publication: Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4304 - 4307
• a: 12.515 ± 0.003 Å
• b: 14.907 ± 0.002 Å
• c: 45.898 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8563 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No