Information card for entry 8102441

Structure parameters

• Chemical name: 2,6-dichloro-1,7,7-trimethylbicyclo[2.2.1]heptane
• Formula: C10 H16 Cl2
• Calculated formula: C10 H16 Cl2
• SMILES: Cl[C@H]1C2(C(C)(C)C(C1)C[C@@H]2Cl)C
• Title of publication: Crystal structure of 2,6-dichloro-1,7,7-trimethyl-bicyclo[2.2.1]heptane, C10H16Cl2
• Authors of publication: Tao Zeng; Kai-Jing Li; Yong Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 393
• a: 7.6321 ± 0.0001 Å
• b: 11.1976 ± 0.0002 Å
• c: 12.5129 ± 0.0002 Å
• α: 90°
• β: 90.228 ± 0.001°
• γ: 90°
• Cell volume: 1069.36 ± 0.03 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0637
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No