Information card for entry 7056110

Structure parameters

• Chemical name: Chalcone
• Formula: C20 H21 Cl2 N O
• Calculated formula: C20 H21 Cl2 N O
• Title of publication: Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents
• Authors of publication: Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 4096 - 4109
• a: 8.1897 ± 0.0004 Å
• b: 9.3642 ± 0.0004 Å
• c: 12.3569 ± 0.0006 Å
• α: 77.946 ± 0.002°
• β: 81.053 ± 0.002°
• γ: 83.095 ± 0.003°
• Cell volume: 911.7 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No