Information card for entry 7111492

Structure parameters

• Common name: 3,3'-(phenanthrenol imine)-2,2'-binaphthyl
• Chemical name: 3,3'-(phenanthrenol imine)-2,2'-binaphthyl
• Formula: C50 H32 N2 O2
• Calculated formula: C50 H32 N2 O2
• SMILES: c1(c(/N=C/c2c(O)c3c(cc2)ccc2ccccc32)ccc2ccccc12)c1c(/N=C/c2c(O)c3c(cc2)ccc2ccccc32)ccc2ccccc12
• Title of publication: Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes
• Authors of publication: Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 37
• Pages of publication: 4693 - 4695
• a: 11.0977 ± 0.0006 Å
• b: 16.4934 ± 0.001 Å
• c: 18.7071 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.1 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No