Information card for entry 2003375

Structure parameters

• Formula: C9 H7 Cl3 N2 O3
• Calculated formula: C9 H7 Cl3 N2 O3
• SMILES: ClC(Cl)(Cl)C(=N)OCc1ccc(N(=O)=O)cc1
• Title of publication: <i>p</i>-Nitrobenzyl Trichloroacetimidate
• Authors of publication: Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 741 - 743
• a: 7.0278 ± 0.0003 Å
• b: 10.855 ± 0.0005 Å
• c: 15.6339 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1192.66 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for all reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0597
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No