Information card for entry 1559087

Structure parameters

• Common name: 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane
• Formula: C11 H11 Cl3
• Calculated formula: C11 H11 Cl3
• SMILES: ClC1(Cl)C(C1(C)C)c1ccc(Cl)cc1
• Title of publication: The Crystal Structures of 2-Phenyl-3,3-dimethyl-1,1-dichlorocyclopropane (I), 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane (II) and 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane (III)
• Authors of publication: Søtofte, Inger; Crossland, Ingolf
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 131 - 137
• a: 6.466 ± 0.002 Å
• b: 14.172 ± 0.002 Å
• c: 12.21 ± 0.006 Å
• α: 90°
• β: 94.04 ± 0.03°
• γ: 90°
• Cell volume: 1116.1 ± 0.7 ų
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No