Information card for entry 2020285

Structure parameters

• Chemical name: 1,1',6,6'-Tetrahydroxy-5,5'-diisopropyl-8,8'-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3'-dimethyl-2,2'-binaphthalene-7,7'-diolate
• Formula: C44 H44 N2 O8
• Calculated formula: C44 H44 N2 O8
• SMILES: Oc1c(c(cc2C(=C(O)C(=O)\C(c12)=C/Nc1ccc(OC)cc1)C(C)C)C)c1c(O)c2/C(C(=O)C(=C(c2cc1C)C(C)C)O)=C/Nc1ccc(OC)cc1
• Title of publication: Crystal structure of bis-p-anizidinegossypol with an unknown solvate
• Authors of publication: Honkeldieva, Muhabbat T.; Talipov, Samat A.; Kunafiev, Rishad; Ibragimov, Bakhtiyar T.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1421
• a: 11.6622 ± 0.0009 Å
• b: 14.0738 ± 0.0011 Å
• c: 15.6906 ± 0.001 Å
• α: 82.472 ± 0.006°
• β: 84.831 ± 0.006°
• γ: 75.009 ± 0.007°
• Cell volume: 2462 ± 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: 0.1381
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.649
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes