Information card for entry 4031757

Structure parameters

• Formula: C32 H40 N O12.5
• Calculated formula: C32 H40 N O12.5
• Title of publication: Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold.
• Authors of publication: Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12501 - 12508
• a: 30.1333 ± 0.0007 Å
• b: 7.7644 ± 0.0002 Å
• c: 12.9297 ± 0.0003 Å
• α: 90°
• β: 105.7 ± 0.003°
• γ: 90°
• Cell volume: 2912.26 ± 0.13 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No