Information card for entry 7153956

Structure parameters

• Formula: C23 H26 N4 O7
• Calculated formula: C23 H26 N4 O7
• Title of publication: A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.
• Authors of publication: Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 41
• Pages of publication: 8125 - 8127
• a: 8.1838 ± 0.0006 Å
• b: 8.4093 ± 0.0006 Å
• c: 18.4956 ± 0.0015 Å
• α: 83.381 ± 0.007°
• β: 77.526 ± 0.004°
• γ: 63.273 ± 0.005°
• Cell volume: 1109.8 ± 0.15 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No