Information card for entry 2200992

Structure parameters

• Chemical name: (R)-N,N'-bis(3,5-di-tert-butylsalicylidene)-5,5',6,6',7,7',8,8'-octahydro- 1,1'-binaphthyl-2,2'-diamine
• Formula: C50 H64 N2 O2
• Calculated formula: C50 H64 N2 O2
• SMILES: Oc1c(/C=N/c2ccc3c(c2c2c(ccc4c2CCCC4)/N=C/c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)CCCC3)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: A new chiral Schiff base: (<i>R</i>)-<i>N,N</i>'-bis(3,5-di-<i>tert</i>-butylsalicylidene)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diamine
• Authors of publication: Jia, Xian; Li, Xingshu; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o183 - o184
• a: 10.6183 ± 0.0011 Å
• b: 10.6183 ± 0.0011 Å
• c: 39.629 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4468.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1892
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No