Information card for entry 2220181

Structure parameters

• Common name: NPAP-anthracene
• Chemical name: (<i>E</i>)-4-[(4-Nitrophenyl)diazenyl]phenyl anthracene-9-carboxylate
• Formula: C27 H17 N3 O4
• Calculated formula: C27 H17 N3 O4
• SMILES: N(=O)(=O)c1ccc(/N=N/c2ccc(OC(=O)c3c4ccccc4cc4ccccc34)cc2)cc1
• Title of publication: (<i>E</i>)-4-[(4-Nitrophenyl)diazenyl]phenyl anthracene-9-carboxylate
• Authors of publication: Rodriguez, Mark A.; Nichol, Jessica L.; Zifer, Thomas; Vance, Andrew L.; Wong, Bryan M.; Léonard, François
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2258
• a: 13.525 ± 0.002 Å
• b: 8.6011 ± 0.0014 Å
• c: 18.956 ± 0.003 Å
• α: 90°
• β: 109.322 ± 0.003°
• γ: 90°
• Cell volume: 2080.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0998
• 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: Yes