Information card for entry 7061776

Structure parameters

• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• Title of publication: Two undescribed pairs of isoprenyl hydroxybenzoic acid derivatives from coculture of Pestalotiopsis sp. and Penicillium bialowiezense: enantioseparation and their absolute configurations
• Authors of publication: Li, Fengli; Huang, Zhangyan; Mo, Shuyuan; Gu, Saisai; Zhang, Sitian; Yang, Beiye; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 17149 - 17152
• a: 4.9574 ± 0.0005 Å
• b: 11.4656 ± 0.0007 Å
• c: 13.002 ± 0.0008 Å
• α: 107.096 ± 0.006°
• β: 100.136 ± 0.007°
• γ: 93.672 ± 0.006°
• Cell volume: 690.06 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No