Information card for entry 2008191

Structure parameters

• Chemical name: E-1,2-(Di-2'-chlorocyclopentenyl)ethylene
• Formula: C12 H14 Cl2
• Calculated formula: C12 H14 Cl2
• SMILES: ClC1=C(CCC1)/C=C/C1=C(Cl)CCC1
• Title of publication: (<i>E</i>)-1,2-Bis(2-chlorocyclopentenyl)ethene
• Authors of publication: Susmita Gupta; Jayanta Kumar Ray; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: IUC9900012
• a: 4.1458 ± 0.0002 Å
• b: 12.5203 ± 0.0004 Å
• c: 11.1023 ± 0.0004 Å
• α: 90°
• β: 100.06 ± 0.002°
• γ: 90°
• Cell volume: 567.42 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No