Information card for entry 7060911

Structure parameters

• Formula: C25 H18 O4
• Calculated formula: C25 H18 O4
• Title of publication: Highly diastereoselective spiro-cyclopropanation of 2-arylidene-1,3-indanediones and dimethylsulfonium ylides
• Authors of publication: Huang, Jie; Sun, Shaofa; Ma, Ping; Wang, Jian; Lee, Kevin; Xing, Yalan; Wu, Yang; Wang, Gangqiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 18776 - 18780
• a: 10.0932 ± 0.0006 Å
• b: 17.334 ± 0.001 Å
• c: 11.369 ± 0.0007 Å
• α: 90°
• β: 104.954 ± 0.006°
• γ: 90°
• Cell volume: 1921.7 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No