Information card for entry 2011317

Structure parameters

• Chemical name: 9-(n-dodecylaminomethyl)anthracene
• Formula: C27 H37 N
• Calculated formula: C27 H37 N
• SMILES: N(Cc1c2ccccc2cc2ccccc12)CCCCCCCCCCCC
• Title of publication: C—H···π interactions in 9-(<i>n</i>-dodecylaminomethyl)anthracene
• Authors of publication: Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1136 - 1138
• a: 17.76 ± 0.009 Å
• b: 32.336 ± 0.011 Å
• c: 7.9664 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4575 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes