Information card for entry 4025110

Structure parameters

• Formula: C9 H8 Cl
• Calculated formula: C9 H8 Cl
• Title of publication: Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride
• Authors of publication: Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 9433 - 9439
• a: 5.684 ± 0.004 Å
• b: 8.214 ± 0.005 Å
• c: 8.368 ± 0.005 Å
• α: 71.037 ± 0.017°
• β: 82.51 ± 0.02°
• γ: 82.59 ± 0.02°
• Cell volume: 364.8 ± 0.4 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No