Information card for entry 7134638

Structure parameters

• Common name: 3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one
• Chemical name: 3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one
• Formula: C25 H23 N O Se
• Calculated formula: C25 H23 N O Se
• Title of publication: Stereoselective synthesis of chalcogen-tethered <i>γ</i>-lactams <i>via</i> 5-<i>exo-dig</i> cyclisation under visible-light irradiation.
• Authors of publication: MohanaKrishna, Silari; Prasad, Vadla Shiva; Ranga Rao, Vadithya; Ravi, Dharavath; Kumar, Chelukalapally Anil; Adiyala, Praveen Reddy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 56
• Pages of publication: 10363 - 10366
• a: 9.2189 ± 0.0005 Å
• b: 10.9073 ± 0.0007 Å
• c: 11.3585 ± 0.0008 Å
• α: 97.835 ± 0.002°
• β: 101.293 ± 0.002°
• γ: 106.079 ± 0.0019°
• Cell volume: 1053.97 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No