Information card for entry 1554874

Structure parameters

• Formula: C23 H30 O8
• Calculated formula: C23 H30 O8
• SMILES: O1[C@@]2(O[C@]3([C@@]4(O)[C@]52C(=O)C(=C(OC)[C@@]25[C@H](C(=C4C)OC)[C@]3(O[C@]12[C@@H](CC)C)O)C)C)C
• Title of publication: Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018
• Authors of publication: Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 17
• Pages of publication: 3053
• a: 8.0029 ± 0.0001 Å
• b: 15.3468 ± 0.0003 Å
• c: 17.8042 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.69 ± 0.06 ų
• Cell temperature: 299.44 ± 0.1 K
• Ambient diffraction temperature: 299.44 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No