Information card for entry 7159336

Structure parameters

• Formula: C21 H28 O4
• Calculated formula: C21 H28 O4
• Title of publication: Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.
• Authors of publication: Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4309 - 4318
• a: 12.6389 ± 0.0002 Å
• b: 11.9203 ± 0.0002 Å
• c: 12.9914 ± 0.0003 Å
• α: 90°
• β: 108.143 ± 0.002°
• γ: 90°
• Cell volume: 1859.97 ± 0.06 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0442
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No