Information card for entry 7157414

Structure parameters

• Chemical name: phaseolide A-CS
• Formula: C106.12 H104.87 Cl12 N24 O8.53 Zn6
• Calculated formula: C106.128 H104.88 Cl12 N24 O8.532 Zn6
• Title of publication: Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina.
• Authors of publication: Morishita, Yohei; Sonohara, Terutaka; Taniguchi, Tohru; Adachi, Kiyohiro; Fujita, Makoto; Asai, Teigo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2813 - 2816
• a: 34.1049 ± 0.0003 Å
• b: 14.4311 ± 0.0001 Å
• c: 31.2664 ± 0.0002 Å
• α: 90°
• β: 102.554 ± 0.001°
• γ: 90°
• Cell volume: 15020.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No