Information card for entry 1503708

Structure parameters

• Formula: C19 H27 N O6
• Calculated formula: C19 H27 N O6
• SMILES: C(=C1\C(=O)N([C@H](C1=O)C[C@](O)(C(C)C)C(=O)O)C)(\O)/C=C/C=C/CCC
• Title of publication: Harzianic acid, an antifungal and plant growth promoting metabolite from Trichoderma harzianum.
• Authors of publication: Vinale, Francesco; Flematti, Gavin; Sivasithamparam, Krishnapillai; Lorito, Matteo; Marra, Roberta; Skelton, Brian W.; Ghisalberti, Emilio L.
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 2032 - 2035
• a: 6.557 ± 0.0002 Å
• b: 20.0101 ± 0.0004 Å
• c: 7.6041 ± 0.0002 Å
• α: 90°
• β: 105.323 ± 0.003°
• γ: 90°
• Cell volume: 962.24 ± 0.05 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: 0.0261
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No