Information card for entry 8106459

Structure parameters

• Formula: C10 H9 Cl2 N2 O4
• Calculated formula: C10 H9 Cl2 N O4
• SMILES: c1(ccc(cc1)N(=O)=O)C1(C(Cl)Cl)OCCO1
• Title of publication: Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4
• Authors of publication: Qi, Bo-Shu; Sun, Xiao-Nan; Yang, Huan-Huan; Fu, Ying; Ye, Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 137 - 138
• a: 11.151 ± 0.002 Å
• b: 7.0923 ± 0.0014 Å
• c: 29.243 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No