Information card for entry 7226399

Structure parameters

• Common name: gymnastatin T
• Formula: C24 H38 Br N O7
• Calculated formula: C24 H38 Br N O7
• SMILES: Br[C@]12[C@@H](O)[C@H](C[C@](O)([C@H]3O[C@H]3C1=O)[C@@H]2O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)C.CO
• Title of publication: Targeted solid phase fermentation of the soil dwelling fungus Gymnascella dankaliensis yields new brominated tyrosine-derived alkaloids
• Authors of publication: Wang, Hao; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Orfali, Raha S.; Müller, Werner E. G.; Liu, Zhen; Proksch, Peter
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 85
• Pages of publication: 81685
• a: 7.0251 ± 0.0003 Å
• b: 11.3852 ± 0.0005 Å
• c: 32.308 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2584.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No