Information card for entry 2204766

Structure parameters

• Chemical name: 9-[Ethoxy(quinolin-8-ylamino)methyl]anthracene
• Formula: C26 H22 N2 O
• Calculated formula: C26 H22 N2 O
• SMILES: c1cccc2cc3ccccc3c(c12)C(Nc1cccc2cccnc12)OCC
• Title of publication: 9-[Ethoxy(8-quinolylamino)methyl]anthracene
• Authors of publication: Huang, Bin; Li, Yi-Zhi; Zhou, Jian-Hao; Chen, Xue-Tai; Liu, Shan-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2365 - o2367
• a: 9.268 ± 0.002 Å
• b: 14.595 ± 0.002 Å
• c: 14.466 ± 0.002 Å
• α: 90°
• β: 90.09 ± 0.01°
• γ: 90°
• Cell volume: 1956.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No