Information card for entry 7159050

Structure parameters

• Formula: C25 H27 N3 O6
• Calculated formula: C25 H27 N3 O6
• Title of publication: Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.
• Authors of publication: Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 651 - 659
• a: 8.3902 ± 0.0002 Å
• b: 11.0278 ± 0.0002 Å
• c: 14.1048 ± 0.0003 Å
• α: 70.487 ± 0.001°
• β: 84.727 ± 0.001°
• γ: 72.34 ± 0.001°
• Cell volume: 1172.06 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.062
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No