Information card for entry 7213257

Structure parameters

• Formula: C14 H18 Cl4 O4
• Calculated formula: C14 H18 Cl4 O4
• Title of publication: A 2,3,5,6-tetramethylenebicyclo[2.2.0]hexane derivative: a novel bisdiene molecule that produces a Dewar benzene skeleton upon two successive Diels‒Alder reactions with dienophiles
• Authors of publication: Ohkita, Masakazu; Sano, Kieko; Dohba, Sotoyuki; Fujita, Yuko; Suzuki, Takanori; Tsuji, Takashi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1971
• a: 15.857 ± 0.003 Å
• b: 17.205 ± 0.002 Å
• c: 13.287 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3625 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No