Information card for entry 2215150

Structure parameters

• Chemical name: (R)-(+)-3,3'-(1,1'-Binaphthyl-2,2'-dioxy)diphthalonitrile benzene solvate
• Formula: C42 H24 N4 O2
• Calculated formula: C42 H24 N4 O2
• SMILES: O(c1cccc(C#N)c1C#N)c1ccc2ccccc2c1c1c2ccccc2ccc1Oc1cccc(C#N)c1C#N.c1ccccc1
• Title of publication: (<i>R</i>)-(+)-3,3'-(1,1'-Binaphthyl-2,2'-dioxy)diphthalonitrile benzene solvate
• Authors of publication: Zhang, Xiao-Mei; Lu, Ji-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3861 - o3861
• a: 7.8783 ± 0.0001 Å
• b: 12.2854 ± 0.0002 Å
• c: 35.3968 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3425.99 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes