Information card for entry 2218694

Structure parameters

• Chemical name: 4,4-Dichlorotricyclo[5.4.0.0^3,5^]undeca-7,9,11-triene
• Formula: C11 H10 Cl2
• Calculated formula: C11 H10 Cl2
• SMILES: ClC1(Cl)[C@H]2[C@@H]1Cc1c(C2)cccc1
• Title of publication: 4,4-Dichlorotricyclo[5.4.0.0^3,5^]undeca-7,9,11-triene
• Authors of publication: Chen, Wan-Li; Chen, Guo-Sheng; Zhu, Ying-Hong; Mo, Wei-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1310
• a: 11.598 ± 0.002 Å
• b: 5.892 ± 0.0012 Å
• c: 14.861 ± 0.003 Å
• α: 90°
• β: 101.97 ± 0.03°
• γ: 90°
• Cell volume: 993.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes