Information card for entry 1507564

Structure parameters

• Formula: C53 H60 N6 O9
• Calculated formula: C53 H60 N6 O9
• SMILES: C1CC[C@@]23C[C@H]4C(C5=N(c6c7C=CC(Oc7ccc6[C@]65[C@@H]([C@]4(C(=O)N12)NC3=O)N1[C@]23[C@@H](C[C@@]4(CCCN4C3=O)C1=O)C(c1[nH]c3c4C=CC(Oc4ccc3c1[C@H]62)(C)C)(C)C)(C)C)=O)(C)C.O.OC
• 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: 10.6276 ± 0.0004 Å
• b: 17.6706 ± 0.0006 Å
• c: 12.8917 ± 0.0004 Å
• α: 90°
• β: 104.187 ± 0.002°
• γ: 90°
• Cell volume: 2347.17 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No