Information card for entry 1551757

Structure parameters

• Formula: C20 H14 N4 O4
• Calculated formula: C20 H14 N4 O4
• SMILES: O=N(=O)c1c(C(c2nc3c4ncccc4ccc3cc2)C)ccc(N(=O)=O)c1
• Title of publication: Crystal Structure of 2-[1-(2,4-Dinitrophenyl)ethyl]-1,10-Phenanthroline
• Authors of publication: FUKUYOSHI, Shuichi; OOI, Takashi; NAKAGAKI, Ryoichi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 55
• a: 15.477 ± 0.002 Å
• b: 5.1818 ± 0.0006 Å
• c: 21.754 ± 0.002 Å
• α: 90°
• β: 96.295 ± 0.003°
• γ: 90°
• Cell volume: 1734.1 ± 0.3 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No