Information card for entry 1545304

Structure parameters

• Formula: C20 H28 N0 O3
• Calculated formula: C20 H28 O3
• SMILES: O1[C@]2(O)[C@@H]3[C@]([C@@]4([C@@H](C2)C)CCC(=C2C(=O)C[C@]2([C@@H]4C3)C)C)(C)C1
• Title of publication: Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone.
• Authors of publication: Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1168 - 1171
• a: 8.502 ± 0.002 Å
• b: 25.02 ± 0.005 Å
• c: 32.864 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6991 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1396
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No