Information card for entry 1507563

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: [C@H]1([C@H](C(=O)C[C@@H](C1)O)C)/C=C/C=C/C=C/C
• Title of publication: Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.
• Authors of publication: Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 707 - 715
• a: 7.274 ± 0.008 Å
• b: 5.066 ± 0.006 Å
• c: 17.43 ± 0.02 Å
• α: 90°
• β: 98.53 ± 0.03°
• γ: 90°
• Cell volume: 635.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No