Information card for entry 1552553

Structure parameters

• Formula: C23 H27 Cl N O5
• Calculated formula: C23 H27 Cl N O5
• SMILES: C1(C(Cl)=C2C(=CN(C(=C2)/C=C/C(=C/[C@H](CC)C)C)CC=O)C(=O)[C@]1(C)OC(=O)C)=O
• Title of publication: Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.
• Authors of publication: Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2019
• Journal volume: 67
• Journal issue: 8
• Pages of publication: 2175 - 2182
• a: 6.4844 ± 0.0006 Å
• b: 8.7749 ± 0.0008 Å
• c: 39.69 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2258.4 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 K
• Number of distinct elements: 5
• 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: 0.1569
• Residual factor for significantly intense reflections: 0.1441
• Weighted residual factors for significantly intense reflections: 0.3532
• Weighted residual factors for all reflections included in the refinement: 0.3645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No