Information card for entry 1552609

Structure parameters

• Formula: C25 H31 I N2 O7
• Calculated formula: C25 H30.99 I N2 O7
• SMILES: c12ccccc1c1cc[n+](C)c(c3c(C(=O)OC)c(C)c(c(c3OC)OC)OC)c1n2C.[I-].O.O
• Title of publication: Generation of Indoles with Agrochemical Significance through Biotransformation by <i>Chaetomium globosum</i>.
• Authors of publication: Yan, Wei; Zhao, Shuang Shuang; Ye, Yong Hao; Zhang, Yang Yang; Zhang, Yue; Xu, Jia Yun; Yin, Sheng Mei; Tan, Ren Xiang
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 2132 - 2137
• a: 7.948 ± 0.0004 Å
• b: 11.1134 ± 0.0005 Å
• c: 15.824 ± 0.0007 Å
• α: 105.623 ± 0.002°
• β: 97.489 ± 0.002°
• γ: 92.541 ± 0.002°
• Cell volume: 1329.97 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No