Information card for entry 7159576

Structure parameters

• Formula: C14 H16 N2 O6
• Calculated formula: C14 H16 N2 O6
• Title of publication: Confirmation of the structure of (±)-preisomide by total synthesis.
• Authors of publication: Teo, Hong Kang; Sae-Lao, Patcharaporn; Bates, Roderick W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 39
• Pages of publication: 7954 - 7959
• a: 6.1315 ± 0.0004 Å
• b: 10.338 ± 0.0007 Å
• c: 23.2076 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.07 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.534
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No