Information card for entry 2008014

Structure parameters

• Chemical name: 1,4-Diphenyl-2,2,3,3-tetrachlorbicyclo[2.2.0]hexane
• Formula: C18 H14 Cl4
• Calculated formula: C18 H14 Cl4
• SMILES: ClC1(Cl)[C@]2([C@@](C1(Cl)Cl)(CC2)c1ccccc1)c1ccccc1
• Title of publication: 2,2,3,3-Tetrachloro-1,4-diphenylbicyclo[2.2.0]hexane, a Strained Bicyclic System
• Authors of publication: Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800072
• a: 7.5872 ± 0.0001 Å
• b: 11.1006 ± 0.0002 Å
• c: 19.6648 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.22 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.039
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No