Information card for entry 7160045

Structure parameters

• Chemical name: cis-cyclopropane
• Formula: C26 H22 O3
• Calculated formula: C26 H22 O3
• Title of publication: Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides.
• Authors of publication: Deshwal, Shalu; Gopalakrishnan, Dinesh Kumar; Purohit, Alok; Karmakar, Tarak; Vaitla, Janakiram
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 31
• Pages of publication: 6294 - 6307
• a: 18.8323 ± 0.0008 Å
• b: 10.3176 ± 0.0004 Å
• c: 10.7363 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.11 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No