Information card for entry 4131759

Structure parameters

• Formula: C16 H15 N3 O4
• Calculated formula: C16 H15 N3 O4
• Title of publication: Synthesis of (+)-Pancratistatins via Catalytic Desymmetrization of Benzene.
• Authors of publication: Hernandez, Lucas W.; Pospech, Jola; Klöckner, Ulrich; Bingham, Tanner W.; Sarlah, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 44
• Pages of publication: 15656 - 15659
• a: 7.2463 ± 0.0005 Å
• b: 9.548 ± 0.0007 Å
• c: 11.2269 ± 0.0008 Å
• α: 72.6 ± 0.0018°
• β: 72.9177 ± 0.0019°
• γ: 86.0255 ± 0.0018°
• Cell volume: 708.37 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0334
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No