Information card for entry 1504967

Structure parameters

• Formula: C10 H8 Cl2 O
• Calculated formula: C10 H8 Cl2 O
• SMILES: ClCC(=O)/C=C(\Cl)c1ccccc1
• Title of publication: Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.
• Authors of publication: Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5469 - 5472
• a: 3.91 ± 0.004 Å
• b: 24.54 ± 0.02 Å
• c: 9.892 ± 0.009 Å
• α: 90°
• β: 98.276 ± 0.012°
• γ: 90°
• Cell volume: 939.3 ± 1.5 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No