Information card for entry 7244109

Structure parameters

• Formula: C30 H21 N3 O5
• Calculated formula: C30 H21 N3 O5
• Title of publication: Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.
• Authors of publication: Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.
• Journal of publication: RSC advances
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 578 - 587
• a: 11.4672 ± 0.0012 Å
• b: 14.0604 ± 0.0014 Å
• c: 15.6426 ± 0.0015 Å
• α: 99.666 ± 0.008°
• β: 96.992 ± 0.008°
• γ: 94.581 ± 0.008°
• Cell volume: 2454.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295.15 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: 0.0984
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No