Information card for entry 2216196

Structure parameters

• Chemical name: 4,4'-Bis[2-(benzylsulfanyl)phenylhydrazono]-2,2'-binaphthalene- 1,1'(4H,4'H)-dione
• Formula: C46 H34 N4 O2 S2
• Calculated formula: C46 H34 N4 O2 S2
• SMILES: O=C1C(=C/C(=N\Nc2ccccc2SCc2ccccc2)c2c1cccc2)C1=C/C(=N\Nc2ccccc2SCc2ccccc2)c2c(C1=O)cccc2
• Title of publication: 4,4'-Bis[2-(benzylsulfanyl)phenylhydrazono]-2,2'-binaphthalene-1,1'(4<i>H</i>,4'<i>H</i>)-dione
• Authors of publication: Biswas, Achintesh Narayan; Das, Purak; Neogi, Debatra Narayan; Bhawmick, Rupa; Bandyopadhyay, Pinaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4554 - o4554
• a: 19.184 ± 0.004 Å
• b: 4.6066 ± 0.001 Å
• c: 21.734 ± 0.005 Å
• α: 90°
• β: 114.838 ± 0.004°
• γ: 90°
• Cell volume: 1743 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1162
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes