Information card for entry 7243889

Structure parameters

• Common name: Lumifantrine-Fumaric Acid 2:1 salt
• Chemical name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid
• Formula: C32 H34 Cl3 N O3
• Calculated formula: C32 H34 Cl3 N O3
• Title of publication: The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine
• Authors of publication: Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 156 - 168
• a: 11.4556 ± 0.0003 Å
• b: 26.8887 ± 0.0007 Å
• c: 9.5696 ± 0.0003 Å
• α: 90°
• β: 91.164 ± 0.002°
• γ: 90°
• Cell volume: 2947.08 ± 0.14 ų
• Cell temperature: 103 ± 5 K
• Ambient diffraction temperature: 103 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: 0.0692
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No