Information card for entry 2015576

Structure parameters

• Chemical name: N-(2-Aminobenzyl)-N,N-bis(quinolin-2-ylmethyl)amine
• Formula: C27 H24 N4
• Calculated formula: C27 H24 N4
• SMILES: N(Cc1nc2c(cc1)cccc2)(Cc1nc2c(cc1)cccc2)Cc1c(N)cccc1
• Title of publication: <i>N</i>-(2-Aminobenzyl)-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)amine
• Authors of publication: Abhijit Mitra; Pamela J. Seaton; Kraig A. Wheeler
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o581 - o582
• a: 12.4071 ± 0.0016 Å
• b: 7.9834 ± 0.001 Å
• c: 21.376 ± 0.003 Å
• α: 90°
• β: 98.041 ± 0.002°
• γ: 90°
• Cell volume: 2096.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes