Information card for entry 2221236

Structure parameters

• Common name: <i>N</i>-(2-Pyridylmethyleneamino)dehydroabietylamine
• Chemical name: 1-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,2,3,4,4a,9,10,10a- octahydrophenanthren-1-yl]-<i>N</i>-[(<i>E</i>)-2- pyridylmethyleneamino]methanamine
• Formula: C26 H33 N2
• Calculated formula: C26 H33 N2
• SMILES: N(=C\c1ncccc1)/C[C@]1([C@H]2[C@@](c3ccc(C(C)C)cc3CC2)(CCC1)C)C
• Title of publication: <i>N</i>-(2-Pyridylmethyleneamino)dehydroabietylamine
• Authors of publication: Wu, Yong; Rao, Xiao-Ping; Wang, Zong-De; Song, Zhan-Qian; Yao, Xu-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o786
• a: 11.294 ± 0.002 Å
• b: 6.087 ± 0.0012 Å
• c: 16.129 ± 0.003 Å
• α: 90°
• β: 98.71 ± 0.03°
• γ: 90°
• Cell volume: 1096 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes