Information card for entry 1518769

Structure parameters

• Formula: C25 H33 N3 O4
• Calculated formula: C25 H33 N3 O4
• SMILES: [nH]1c(c(c2cccc(c12)C[C@H](O)C(OC)(C)C)/C=C/1NC(=O)[C@@H](NC1=O)C)C(C=C)(C)C
• Title of publication: Rubrumazines A-C, Indolediketopiperazines of the Isoechinulin Class from Eurotium rubrum MA-150, a Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil.
• Authors of publication: Meng, Ling-Hong; Du, Feng-Yu; Li, Xiao-Ming; Pedpradab, Patchara; Xu, Gang-Ming; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 909 - 913
• a: 6.0367 ± 0.0005 Å
• b: 19.1261 ± 0.0015 Å
• c: 20.5025 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2607
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No