Information card for entry 7160044

Structure parameters

• Chemical name: trans-cyclopropane
• Formula: C30 H26 O6
• Calculated formula: C30 H26 O6
• 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: 8.6562 ± 0.0006 Å
• b: 11.0892 ± 0.0006 Å
• c: 13.6698 ± 0.0009 Å
• α: 71.649 ± 0.002°
• β: 79.384 ± 0.003°
• γ: 83.229 ± 0.002°
• Cell volume: 1221.6 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No