Information card for entry 7113096

Structure parameters

• Formula: C26 H19 F4 N O3 S
• Calculated formula: C26 H19 F4 N O3 S
• SMILES: C1C(=C\c2c(ccc(c2)F)F)/C(=O)C(=C\c2c(ccc(c2)F)F)\CN1S(=O)(=O)c1ccc(cc1)C
• Title of publication: Novel 3,5-bis(arylidiene)-4-piperidone based monocarbonyl analogs of curcumin: anticancer activity evaluation and mode of action study
• Authors of publication: Thakur, Anuj; Manohar, Sunny; Vélez Gerena, Christian E.; Zayas, Beatriz; Kumar, Vineet; Malhotra, Sanjay V.; Rawat, Diwan S.
• Journal of publication: MedChemComm
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 576
• a: 8.7795 ± 0.0005 Å
• b: 11.4369 ± 0.0008 Å
• c: 12.4788 ± 0.0008 Å
• α: 102.414 ± 0.006°
• β: 100.722 ± 0.005°
• γ: 102.556 ± 0.005°
• Cell volume: 1158.28 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No