Information card for entry 1529469

Structure parameters

• Formula: C22 H35 N O3
• Calculated formula: C22 H35 N O3
• SMILES: N1[C@H](C[C@@H]([C@@]2(O[C@@H]([C@H]3CC(=CC[C@@H]3C2)C)C(=C\C)\C)O)C1=O)CC(C)C
• 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: 6.212 ± 0.002 Å
• b: 12.231 ± 0.003 Å
• c: 28.133 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2137.5 ± 1 ų
• Cell temperature: 295 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No