Information card for entry 2211251

Structure parameters

• Chemical name: 2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzaldehyde
• Formula: C16 H14 N2 O8
• Calculated formula: C16 H14 N2 O8
• SMILES: O(C)c1cccc(C=O)c1OCCOc1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: 2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzaldehyde
• Authors of publication: Diao, Chun-Hua; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5404 - o5405
• a: 13.192 ± 0.002 Å
• b: 8.4397 ± 0.0016 Å
• c: 14.673 ± 0.003 Å
• α: 90°
• β: 94.99 ± 0.003°
• γ: 90°
• Cell volume: 1627.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes