Information card for entry 1504635

Structure parameters

• Formula: C23 H17 Cl O2
• Calculated formula: C23 H17 Cl O2
• SMILES: Cl[C@]1(C=O)[C@]2(O[C@@](c3c2cccc3)(c2ccccc2)C1)c1ccccc1
• Title of publication: The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.
• Authors of publication: Lee, Gon-Ann; Chen, Ko Chou
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1843 - 1845
• a: 8.2148 ± 0.0007 Å
• b: 13.1032 ± 0.0012 Å
• c: 16.4021 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1838
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No