Information card for entry 2203733

Structure parameters

• Chemical name: 2,2'-{(Z)-Ethane-1,2-diylbis[(Z)-o-phenylenenitrilomethylidyne]}diphenol
• Formula: C28 H24 N2 O2
• Calculated formula: C28 H24 N2 O2
• SMILES: Oc1ccccc1/C=N/c1ccccc1CCc1ccccc1/N=C/c1ccccc1O
• Title of publication: 2,2'-{(<i>Z</i>)-Ethane-1,2-diylbis[(<i>Z</i>)-<i>o</i>-phenylenenitrilomethylidyne]}diphenol (EIEP)
• Authors of publication: S. M. Malathy Sony; P. Charles; M. N. Ponnuswamy; H. S. Yathirajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1078 - o1080
• a: 11.817 ± 0.003 Å
• b: 13.762 ± 0.006 Å
• c: 6.873 ± 0.002 Å
• α: 90°
• β: 101.15 ± 0.03°
• γ: 90°
• Cell volume: 1096.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes