Information card for entry 1560300

Structure parameters

• Common name: 2-p-Chlorophenyl-3,3-dimethyl-1-methoxycyclopropene
• Formula: C12 H13 Cl O
• Calculated formula: C12 H13 Cl O
• SMILES: Clc1ccc(C2=C(OC)C2(C)C)cc1
• Title of publication: The Crystal Structure of 2-p-Chlorophenyl-3,3-dimethyl-1-methoxycyclopropene
• Authors of publication: Sotofte, Inger; Crossland, Ingolf
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1989
• Journal volume: 43
• Pages of publication: 168 - 171
• a: 9.939 ± 0.005 Å
• b: 19.099 ± 0.004 Å
• c: 5.828 ± 0.004 Å
• α: 90°
• β: 91.6 ± 0.05°
• γ: 90°
• Cell volume: 1105.9 ± 1 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 c 1
• Hall space group symbol: I -2yc
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No