Information card for entry 2217875

Structure parameters

• Chemical name: 4,4'-{[1,1'-Methylenebis(naphthalene-2,1-diyl)]bis(oxymethylene)}dibenzonitrile
• Formula: C37 H26 N2 O2
• Calculated formula: C37 H26 N2 O2
• SMILES: O(c1c(c2c(cc1)cccc2)Cc1c(OCc2ccc(C#N)cc2)ccc2c1cccc2)Cc1ccc(cc1)C#N
• Title of publication: 4,4'-{[1,1'-Methylenebis(naphthalene-2,1-diyl)]bis(oxymethylene)}dibenzonitrile
• Authors of publication: Zhao, Yu-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o761
• a: 14.3054 ± 0.001 Å
• b: 14.4363 ± 0.0008 Å
• c: 15.2974 ± 0.0007 Å
• α: 67.701 ± 0.001°
• β: 83.589 ± 0.001°
• γ: 71.784 ± 0.001°
• Cell volume: 2776.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1625
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes