Information card for entry 1559088

Structure parameters

• Common name: 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane
• Formula: C13 H17 Cl O2
• Calculated formula: C13 H17 Cl O2
• SMILES: Clc1ccc(C2C(OC)(OC)C2(C)C)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: 7.396 ± 0.002 Å
• b: 10.796 ± 0.004 Å
• c: 17.56 ± 0.012 Å
• α: 106.73 ± 0.04°
• β: 95.84 ± 0.04°
• γ: 104 ± 0.03°
• Cell volume: 1280.5 ± 1.1 ų
• Ambient diffraction temperature: 124 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No