Information card for entry 7159815

Structure parameters

• Formula: C23 H20 N2 O4
• Calculated formula: C23 H20 N2 O4
• Title of publication: Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.
• Authors of publication: Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 11
• Pages of publication: 2197 - 2202
• a: 10.2901 ± 0.0002 Å
• b: 22.9799 ± 0.0005 Å
• c: 8.7583 ± 0.0002 Å
• α: 90°
• β: 110.502 ± 0.001°
• γ: 90°
• Cell volume: 1939.86 ± 0.07 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No