Information card for entry 1571666

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• Title of publication: β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.
• Authors of publication: Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 8750 - 8755
• a: 6.4548 ± 0.0001 Å
• b: 17.2854 ± 0.0003 Å
• c: 12.2879 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1371.01 ± 0.04 ų
• Cell temperature: 106 ± 5 K
• Ambient diffraction temperature: 106 ± 5 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: 0.0924
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No