Information card for entry 2217772

Structure parameters

• Common name: DR1-anthracene ester
• Chemical name: (<i>E</i>)-2-{Ethyl[4-(4-nitrophenyldiazenyl)phenyl]amino}ethyl anthracene-9-carboxylate
• Formula: C31 H26 N4 O4
• Calculated formula: C31 H26 N4 O4
• SMILES: c1ccc2c(c1)c(c1c(c2)cccc1)C(=O)OCCN(CC)c1ccc(cc1)/N=N/c1ccc(cc1)N(=O)=O
• Title of publication: (<i>E</i>)-2-{Ethyl[4-(4-nitrophenyldiazenyl)phenyl]amino}ethyl anthracene-9-carboxylate
• Authors of publication: Rodriguez, Mark A.; Zifer, Thomas; Vance, Andrew L.; Wong, Bryan M.; Leonard, Francois
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o595
• a: 9.3161 ± 0.0009 Å
• b: 10.6586 ± 0.001 Å
• c: 13.5328 ± 0.0013 Å
• α: 101.134 ± 0.003°
• β: 104.667 ± 0.004°
• γ: 99.779 ± 0.003°
• Cell volume: 1241.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes