Information card for entry 4037851

Structure parameters

• Formula: C34 H28 N6 O11
• Calculated formula: C34 H28 N6 O11
• Title of publication: Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.
• Authors of publication: Bracken, Cormac; Baumann, Marcus
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 19.065 ± 0.0005 Å
• b: 8.0448 ± 0.0002 Å
• c: 21.6927 ± 0.0005 Å
• α: 90°
• β: 105.039 ± 0.003°
• γ: 90°
• Cell volume: 3213.14 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No