Information card for entry 2221577

Structure parameters

• Chemical name: (<i>E</i>)-(4-Chlorobenzylidene){[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-\ isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthryl]\ methyl}amine
• Formula: C27 H34 Cl N
• Calculated formula: C27 H34 Cl N
• SMILES: Clc1ccc(cc1)/C=N/C[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C
• Title of publication: (<i>E</i>)-(4-Chlorobenzylidene){[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthryl]methyl}amine
• Authors of publication: Chen, Yu-Xiang; Zhao, Zhen-Dong; Wang, Yu-Min; Bi, Liang-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1118
• a: 5.9251 ± 0.0013 Å
• b: 10.783 ± 0.002 Å
• c: 19.163 ± 0.004 Å
• α: 77.402 ± 0.004°
• β: 85.281 ± 0.004°
• γ: 78.224 ± 0.004°
• Cell volume: 1168.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes