Information card for entry 2211735

Structure parameters

• Common name: Parlar 69
• Chemical name: 2,2,5,5,6-exo,8,8,9,10,10-Decachlorobornane
• Formula: C10 H8 Cl10
• Calculated formula: C10 H8 Cl10
• SMILES: ClC1(Cl)[C@]2([C@H](Cl)C(Cl)(Cl)[C@@H](C1)[C@@]2(C(Cl)Cl)CCl)C(Cl)Cl.ClC1(Cl)[C@@]2([C@@H](Cl)C(Cl)(Cl)[C@H](C1)[C@]2(C(Cl)Cl)CCl)C(Cl)Cl
• Title of publication: 2,2,5,5,6-<i>exo</i>,8,8,9,10,10-Decachlorobornane
• Authors of publication: Kolehmainen, Erkki; Kryuchkov, Fedor; Nikiforov, Vladimir; Valkonen, Arto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o327 - o328
• a: 8.2822 ± 0.0002 Å
• b: 12.8466 ± 0.0003 Å
• c: 14.995 ± 0.0003 Å
• α: 90°
• β: 91.2825 ± 0.0012°
• γ: 90°
• Cell volume: 1595.04 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes