Information card for entry 2239139

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dimethyl-4-(pyren-1-yl)aniline
• Formula: C24 H19 N
• Calculated formula: C24 H19 N
• SMILES: CN(c1ccc(cc1)c1ccc2c3c1ccc1c3c(cc2)ccc1)C
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-4-(pyren-1-yl)aniline
• Authors of publication: Thekku Veedu, Sreevidya; Scholz, Mirko; Kia, Reza; Paulmann, Carsten; Techert, Simone
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o16
• a: 6.127 ± 0.0012 Å
• b: 30.686 ± 0.006 Å
• c: 9.478 ± 0.003 Å
• α: 90°
• β: 113.35 ± 0.02°
• γ: 90°
• Cell volume: 1636 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes