Information card for entry 7241522

Structure parameters

• Chemical name: pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)
• Formula: C127 H116 Cl8 N10 O9
• Calculated formula: C127 H116 Cl8 N10 O9
• Title of publication: Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts
• Authors of publication: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 185 - 201
• a: 10.5086 ± 0.0004 Å
• b: 13.4783 ± 0.0005 Å
• c: 21.4224 ± 0.0008 Å
• α: 73.629 ± 0.003°
• β: 76.913 ± 0.003°
• γ: 73.271 ± 0.003°
• Cell volume: 2752.92 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No