Information card for entry 7160055

Structure parameters

• Formula: C25 H23 N3 O4 S
• Calculated formula: C25 H23 N3 O4 S
• Title of publication: Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.
• Authors of publication: Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 31
• Pages of publication: 6288 - 6293
• a: 13.6412 ± 0.0004 Å
• b: 10.7301 ± 0.0002 Å
• c: 16.2702 ± 0.0004 Å
• α: 90°
• β: 101.061 ± 0.003°
• γ: 90°
• Cell volume: 2337.25 ± 0.1 ų
• Cell temperature: 259 ± 8 K
• Ambient diffraction temperature: 259 ± 8 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No