Information card for entry 1559533

Structure parameters

• Common name: 2,2-dichloro-1-phenyl-cyclopropylmethyl 4-nitrobenzoate
• Formula: C17 H13 Cl2 N O4
• Calculated formula: C17 Cl2 N O4
• SMILES: ClC1(Cl)C(C1)(COC(=O)c1ccc(N(=O)=O)cc1)c1ccccc1
• Title of publication: Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes
• Authors of publication: Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 902 - 913
• a: 6.21 ± 0.001 Å
• b: 28.886 ± 0.009 Å
• c: 9.022 ± 0.003 Å
• α: 90°
• β: 97.22°
• γ: 90°
• Cell volume: 1605.6 ± 0.8 ų
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 5
• 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: 0.042
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No