Information card for entry 2218582

Structure parameters

• Chemical name: 3,3'-{1,1'-Methylenebis[naphthalene-2,1-diylbis(oxymethylene)]}dibenzonitrile
• Formula: C37 H26 N2 O2
• Calculated formula: C37 H26 N2 O2
• SMILES: C(c1c2ccccc2ccc1OCc1cc(ccc1)C#N)c1c2ccccc2ccc1OCc1cc(ccc1)C#N
• Title of publication: 3,3'-{1,1'-Methylenebis[naphthalene-2,1-diylbis(oxymethylene)]}dibenzonitrile
• Authors of publication: Xiao, Jie; Zhao, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o965
• a: 9.3123 ± 0.0019 Å
• b: 12.13 ± 0.002 Å
• c: 12.682 ± 0.003 Å
• α: 79.71 ± 0.03°
• β: 86.58 ± 0.03°
• γ: 87.1 ± 0.03°
• Cell volume: 1405.8 ± 0.5 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: 0.1886
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes