Information card for entry 1577317

Structure parameters

• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• Title of publication: Diastereoselective Synthesis of Spiro[2,n]alkanes via Intramolecular Carbolithiation
• Authors of publication: Teschers, Charlotte S.; Barra, Cyriac; Scherübl, Maximilian; Zuber, Julian; Marek, Ilan
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.7981 ± 0.0008 Å
• b: 7.4662 ± 0.0005 Å
• c: 16.4344 ± 0.0012 Å
• α: 90°
• β: 93.101 ± 0.003°
• γ: 90°
• Cell volume: 1323.01 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No