Information card for entry 7710948

Structure parameters

• Chemical name: 2,5,9-cyclododecatrien-1-ylmethanol
• Formula: C13 H20 O
• Calculated formula: C13 H20 O
• Title of publication: Synthesis and antibacterial activity study of ruthenium-based metallodrugs with membrane-disruptive mechanism against Staphylococcus aureus
• Authors of publication: Chen, Yushou; Liu, Lianghong; Wang, xuerong; Liao, Zhouyuji; Wang, Runbin; Xiong, Yan-Shi; Chen, Jianxin; jiang, guijuan; Wang, Jintao; Liao, Xiangwen
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 28.706 ± 0.005 Å
• b: 5.1381 ± 0.0006 Å
• c: 16.688 ± 0.003 Å
• α: 90°
• β: 105.523 ± 0.007°
• γ: 90°
• Cell volume: 2371.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.2121
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.3602
• Weighted residual factors for all reflections included in the refinement: 0.4129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No