Information card for entry 7133451

Structure parameters

• Chemical name: KC1247
• Formula: C62 H51.35 N6 O6 S2
• Calculated formula: C54 H35.35 N6 O2 S2
• Title of publication: Ag(I)-catalyzed asymmetric (2+4) annulation reaction of 5-alkenyl thiazolones: synthesis of enantioenriched spiro[cyclohexenamines-thiazolones].
• Authors of publication: Choudhary, Kavita; Deshpande, Akanksha Santosh; Singh, Vinod K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 68
• Pages of publication: 9062 - 9065
• a: 10.2217 ± 0.0003 Å
• b: 11.1542 ± 0.0003 Å
• c: 13.1904 ± 0.0004 Å
• α: 95.111 ± 0.001°
• β: 94.018 ± 0.001°
• γ: 111.248 ± 0.001°
• Cell volume: 1387.58 ± 0.07 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No