Information card for entry 7153480

Structure parameters

• Common name: (8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'-bis((3- (morpholin-4-yl)propan-1)amino)-5,5'-di(propan-2-yl)-2,2'-binaphthalene- 7,7'(8H,8'H)-dione
• Chemical name: (8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'- bis([3-(morpholin-4-yl)propan-1]amino)- 5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione
• Formula: C44 H58 N4 O8
• Calculated formula: C44 H58 N4 O8
• Title of publication: The influence of protonation on molecular structure and physico-chemical properties of gossypol Schiff bases.
• Authors of publication: Przybylski, Piotr; Pyta, Krystian; Czupryniak, Justyna; Wicher, Barbara; Gdaniec, Maria; Ossowski, Tadeusz; Brzezinski, Bogumił
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5511 - 5518
• a: 37.523 ± 0.003 Å
• b: 11.2668 ± 0.0006 Å
• c: 21.482 ± 0.0017 Å
• α: 90°
• β: 120.074 ± 0.01°
• γ: 90°
• Cell volume: 7859.2 ± 1.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No