Information card for entry 1516318

Structure parameters

• Formula: C25 H16 N4 O4
• Calculated formula: C25 H16 N4 O4
• SMILES: O=Nc1ccc(cc1)C(c1ccc(cc1)N=O)(c1ccc(cc1)N=O)c1ccc(cc1)N=O
• Title of publication: Constructing monocrystalline covalent organic networks by polymerization
• Authors of publication: Beaudoin, Daniel; Maris, Thierry; Wuest, James D.
• Journal of publication: Nature Chemistry
• Year of publication: 2013
• Journal volume: 5
• Pages of publication: 830 - 834
• a: 18.0373 ± 0.0004 Å
• b: 18.0373 ± 0.0004 Å
• c: 18.0373 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5868.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No