Information card for entry 2214275

Structure parameters

• Common name: 2,2'-bis(4-cyanobenzyloxy)-1.1'-binaphthalene
• Chemical name: 4,4'-[1,1'-Binaphthalene-2,2'-diyldi(oxymethylene)]benzonitrile
• Formula: C36 H24 N2 O2
• Calculated formula: C36 H24 N2 O2
• SMILES: c1(c2ccccc2ccc1OCc1ccc(cc1)C#N)c1c(ccc2ccccc12)OCc1ccc(cc1)C#N
• Title of publication: 4,4'-[1,1'-Binaphthalene-2,2'-diyldi(oxymethylene)]benzonitrile
• Authors of publication: Fu, Dai-Wei; Zhao, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3206 - o3206
• a: 7.835 ± 0.001 Å
• b: 10.112 ± 0.001 Å
• c: 17.864 ± 0.002 Å
• α: 104.696 ± 0.002°
• β: 91.999 ± 0.002°
• γ: 98.995 ± 0.003°
• Cell volume: 1348.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes