Information card for entry 7252062

Structure parameters

• Chemical name: H6-4-2-1-1 and H6-4-2-1-2
• Formula: C14 H18 O4
• Calculated formula: C14 H18 O4
• Title of publication: Chemical epigenetic modification uncovers new isocoumarins from the endophyte Dothideomycetes sp. BMC-101
• Authors of publication: Cong, Yajuan; Wang, Haotian; Wang, Hong; Jiang, Jing; Li, Lanying; Wu, Runyu; Zhang, Yixuan; Huo, Qiang; Zhu, Meilin
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 29240 - 29248
• a: 8.5056 ± 0.0003 Å
• b: 39.674 ± 0.0013 Å
• c: 7.9424 ± 0.0003 Å
• α: 90°
• β: 94.882 ± 0.002°
• γ: 90°
• Cell volume: 2670.45 ± 0.16 ų
• Cell temperature: 303 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No