Information card for entry 7159814

Structure parameters

• Formula: C24 H21 N3 O4
• Calculated formula: C24 H21 N3 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: 8.8691 ± 0.0003 Å
• b: 9.8181 ± 0.0003 Å
• c: 12.3544 ± 0.0005 Å
• α: 83.507 ± 0.003°
• β: 89.522 ± 0.003°
• γ: 80.379 ± 0.002°
• Cell volume: 1053.8 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0778
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No