Information card for entry 7241417

Structure parameters

• Chemical name: ((E)-1-(2,6-dichlorophenyl)-3-((methylselanyl)methylene)indolin-2-one
• Formula: C16 H11 Cl2 N O Se
• Calculated formula: C16 H11 Cl2 N O Se
• Title of publication: Vilsmeier reagent, NaHSe and diclofenac acid chloride: one-pot synthesis of a novel selenoindolinone with potent anticancer activity
• Authors of publication: Ruberte, Ana Carolina; Aydillo, Carlos; Sharma, Arun K.; Sanmartín, Carmen; Plano, Daniel
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 63
• Pages of publication: 38404 - 38408
• a: 8.3923 ± 0.0009 Å
• b: 12.7253 ± 0.0014 Å
• c: 14.656 ± 0.0015 Å
• α: 90°
• β: 90.072 ± 0.002°
• γ: 90°
• Cell volume: 1565.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No